SCHEMBL3104440

SCHEMBL3104440

COc1ccc(C(=O)CC(CC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSS P25774 2/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
PTGES O14684 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
GSK3B P49841 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6669920 0.87 BCL2L1 (0.47) ALDH1A1CTSSBCL2L1MCL1
SCHEMBL6668702 0.86 BCL2L1 (0.46) ALDH1A1L3MBTL1CTSSBCL2L1MCL1
SCHEMBL6667289 0.83 BCL2L1 (0.46) ALDH1A1L3MBTL1CTSSBCL2L1MCL1
SCHEMBL6664357 0.80 CTSS (0.44) ALDH1A1CTSSBCL2L1MCL1
SCHEMBL7346856 0.80 PDPK1 (0.49) BCL2L1MCL1GSK3BHDAC1HDAC8
SCHEMBL10918323 0.76 POLB (0.60) ALDH1A1MAPTSMN1; SMN2POLBEPHX2
SCHEMBL728368 0.76 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL1304895 0.75 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2POLBEPHX2
SCHEMBL5197841 0.75 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2POLBEPHX2
SCHEMBL5194943 0.75 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2EPHX2GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897644-B2 Antiinflammatory agents; analgesics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-01 US claimed
US-20100273872-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 US claimed
EP-2214659-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS Merck Patent GmbH (DE) 2010-08-11 EP claimed
WO-2009071161-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2009-06-11 WO claimed
EP-1450780-B1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GMBH (DE) 2007-03-07 EP claimed
EP-1448181-B1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2006-05-31 EP claimed
US-20050085489-A1 Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-04-21 US claimed
US-20050070553-A1 Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-03-31 US claimed
US-20050020609-A1 Pharmaceutical composition comprising a combination of metformin and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-01-27 US claimed
US-20050014768-A1 Use of 4-oxobutanoic acid derivatives in the treatment of inflammation MERCK PATENT GMBH (DE) 2005-01-20 US claimed
EP-1463503-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLITAZONE AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-10-06 EP claimed
EP-1458412-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-09-22 EP claimed
EP-1450780-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GmbH (DE) 2004-09-01 EP claimed
WO-2003057216-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLITAZONE AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-07-17 WO claimed
WO-2003055523-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-07-10 WO claimed
WO-2003047574-A1 PHARMACEUTICAL COMPOSITION COMPRISING A DERIVATIVE OF 5-PHENOXYALKYL-2,4-THIAZOLIDINEDIONE TYPE AND A 4-OXOBUTANOIC ACID MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
WO-2003047561-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
EP-0925273-B1 PHARMACEUTICAL COMPOSITION CONTAINING 4-OXO-BUTYNIC ACIDS MERCK PATENT GMBH (DE) 2001-11-07 EP claimed
US-6143787-A HETEROCYCLIC OR AROMATIC OXOACIDS MERCK PATENT GESELLSCHAFT MIT (DE) 2000-11-07 US claimed
US-7897644-B2 Antiinflammatory agents; analgesics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-01 US disclosed
US-20100273872-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-28 US disclosed
EP-2214659-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS Merck Patent GmbH (DE) 2010-08-11 EP disclosed
US-7727977-B2 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-01 US disclosed
WO-2009071161-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2009-06-11 WO disclosed
EP-1450780-B1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GMBH (DE) 2007-03-07 EP disclosed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US disclosed
EP-1448181-B1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2006-05-31 EP disclosed
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells MERCK PATENT GMBH (DE) 2006-03-09 US disclosed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP disclosed
US-20050085489-A1 Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-04-21 US disclosed
US-20050070553-A1 Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-03-31 US disclosed
US-20050020609-A1 Pharmaceutical composition comprising a combination of metformin and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
US-20050014768-A1 Use of 4-oxobutanoic acid derivatives in the treatment of inflammation MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
EP-1463503-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLITAZONE AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-10-06 EP disclosed
EP-1450780-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GmbH (DE) 2004-09-01 EP disclosed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO disclosed
WO-2003057216-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLITAZONE AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-07-17 WO disclosed
WO-2003047574-A1 PHARMACEUTICAL COMPOSITION COMPRISING A DERIVATIVE OF 5-PHENOXYALKYL-2,4-THIAZOLIDINEDIONE TYPE AND A 4-OXOBUTANOIC ACID MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed
WO-2003047561-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF INFLAMMATION MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed
US-6143787-A HETEROCYCLIC OR AROMATIC OXOACIDS MERCK PATENT GESELLSCHAFT MIT (DE) 2000-11-07 US disclosed
US-6143787-A HETEROCYCLIC OR AROMATIC OXOACIDS MERCK PATENT GESELLSCHAFT MIT (DE) 2000-11-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050020609-A1 Pharmaceutical composition comprising a combination of metformin and a 4-oxobutanoic acid, and the use thereof for treating diabetes GPR119, IAPP, SLC5A1 ALDH1A1 1290/4885MAPT 2524/4885SMN1; SMN2 1770/4885
US-20100273872-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS ABAT, HOGA1, IL4I1 ALDH1A1 226/4885MAPT 2710/4885SMN1; SMN2 1065/4885
US-20060052456-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes by increasing the number of islets of langerhans cells KYNU, KMO, IDO1 ALDH1A1 1018/4885MAPT 3894/4885SMN1; SMN2 4651/4885
US-20050070553-A1 Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes GANAB, GAA, GANC ALDH1A1 436/4885MAPT 2233/4885SMN1; SMN2 2829/4885
US-20050014768-A1 Use of 4-oxobutanoic acid derivatives in the treatment of inflammation IL1B, HCAR2, IL6 ALDH1A1 453/4885MAPT 1669/4885SMN1; SMN2 3170/4885
US-20050085489-A1 Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes SLC5A1, DPP4, SLC5A2 ALDH1A1 552/4885MAPT 1776/4885SMN1; SMN2 3045/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT ALDH1A1 705/4885MAPT 4129/4885SMN1; SMN2 4447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.