SCHEMBL3104154

SCHEMBL3104154

COc1ccc(C(=O)CC(Cc2ccc(Cl)cc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
BCL2L1 Q07817 1/20 0.60
MCL1 Q07820 1/20 0.60
LDHA P00338 1/20 0.54
PPARG P37231 3/20 0.53
KMO O15229 1/20 0.52
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.50
EPHX2 P34913 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARA Q07869 1/20 0.49
FPR2 P25090 1/20 0.48

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
SCHEMBL6674722 0.89 KMO (0.57) KMT2ABCL2L1MCL1PPARGKMO
SCHEMBL3101828 0.88 NPC1 (0.60) KMT2ALDHAPPARGKMOPPARA
SCHEMBL16284887 0.88 NPC1 (0.60) KMT2ALDHAPPARGKMOPPARA
SCHEMBL16284888 0.88 NPC1 (0.60) KMT2ALDHAPPARGKMOPPARA
SCHEMBL6672877 0.88 NPC1 (0.60) KMT2ALDHAPPARGKMOPPARA
SCHEMBL11522651 0.87 KMT2A (0.53) KMT2ABCL2L1MCL1LDHAHPGD
SCHEMBL3110072 0.87 LDHA (0.54) KMT2ABCL2L1MCL1LDHAPPARG
SCHEMBL6671105 0.86 KMO (0.54) KMT2ABCL2L1MCL1PPARGKMO
SCHEMBL3105307 0.84 HPGD (0.54) KMT2ALDHAPPARGHPGDALDH1A1
SCHEMBL9554501 0.83 KMO (0.72) BCL2L1MCL1PPARGKMOPPARA

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 50 patents — showing the first 20. 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
CN-1633304-A Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-06-29 CN 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
CN-1599608-A Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-03-23 CN claimed
CN-1592615-A Pharmaceutical composition comprising a combination of metformin and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-03-09 CN 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-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-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

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

For each of this compound's patents that has machine-readable text (5 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 KMT2A 3694/4885BCL2L1 3785/4885MCL1 3253/4885
US-20100273872-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS ABAT, HOGA1, IL4I1 KMT2A 3283/4885BCL2L1 2758/4885MCL1 1125/4885
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 KMT2A 4137/4885BCL2L1 3694/4885MCL1 4851/4885
US-20050014768-A1 Use of 4-oxobutanoic acid derivatives in the treatment of inflammation IL1B, HCAR2, IL6 KMT2A 4052/4885BCL2L1 2298/4885MCL1 3948/4885
US-20050085489-A1 Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes SLC5A1, DPP4, SLC5A2 KMT2A 2373/4885BCL2L1 3135/4885MCL1 4190/4885

“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.