SCHEMBL3104413

SCHEMBL3104413

O=C(CC(Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.68
CPA1 P15085 5/20 0.57
CPA3 P15088 2/20 0.57
CPB1 P15086 1/20 0.57
CPB2 Q96IY4 1/20 0.57
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.51
PTPN1 P18031 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
MME P08473 1/20 0.50
FOLH1 Q04609 2/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLAU P00749 1/20 0.47

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
SCHEMBL3101857 0.85 TSHR (0.60) KMOCPA1CPA3CPB1CPB2
SCHEMBL6674722 0.84 KMO (0.57) KMOPPARGPPARA
SCHEMBL3104186 0.82 TSHR (0.75) KMOCPA1CPA3CPB1CPB2
SCHEMBL7315538 0.82 TSHR (0.75) KMOCPA1CPA3CPB1CPB2
SCHEMBL6671105 0.82 KMO (0.54) KMOPTPN1PPARGPPARA
SCHEMBL727440 0.81 KMO (1.00) KMOCPA1CPA3CPB1CPB2
SCHEMBL728320 0.81 KMO (1.00) KMOCPA1CPA3CPB1CPB2
SCHEMBL3667472 0.81 KMO (1.00) KMOCPA1CPA3CPB1CPB2
SCHEMBL2347491 0.79 KMO (0.63) KMOCPA1CPA3CPB1CPB2
SCHEMBL3664996 0.79 KMO (0.63) KMOCPA1CPA3CPB1CPB2

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 51 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
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
EP-1448181-A1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-08-25 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
WO-2003045368-A1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-06-05 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 (4 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-20100273872-A1 USE OF 4-OXOBUTANOIC ACID DERIVATIVES IN THE TREATMENT OF PATHOLOGIES ASSOCIATED WITH IMMUNOLOGICAL DISORDERS ABAT, HOGA1, IL4I1 KMO 524/4885CPA1 1841/4885CPA3 807/4885
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 KMO 1642/4885CPA1 376/4885CPA3 565/4885
US-20050014768-A1 Use of 4-oxobutanoic acid derivatives in the treatment of inflammation IL1B, HCAR2, IL6 KMO 464/4885CPA1 1229/4885CPA3 605/4885
US-20050085489-A1 Pharmaceutical composition comprising a glitazone and a 4-oxobutanoic acid, and the use thereof for treating diabetes SLC5A1, DPP4, SLC5A2 KMO 754/4885CPA1 1658/4885CPA3 1521/4885

“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.