SCHEMBL130778

SCHEMBL130778

[c]1cccc2c1CCCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL103524 0.88
SCHEMBL3417718 0.74 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL9174815 0.74
SCHEMBL106757 0.73 ITGB2 (0.41) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL106439 0.72 ITGB2 (0.30) ITGB2ICAM1ITGAL
SCHEMBL3871811 0.72 ITGB2 (0.35) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL2886599 0.70 ITGB2 (0.52) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL21462 0.68 ITGB2 (0.50) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL106440 0.68 ABCG2 (0.39) ITGB2ICAM1ITGALLMNACRHBP
SCHEMBL1230573 0.68 TSHR (0.36) CLK1DYRK1ADYRK1B

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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4554364-B2 2010-09-29 JP claimed
EP-1121129-B1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND ASSOCIATED COMBINATIONS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-11-18 US claimed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP claimed
EP-1113801-A4 METHOD FOR TREATING ATHEROSCLEROSIS EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL MYERS SQUIBB CO (US) 2002-10-02 EP claimed
JP-2002524518-A 2002-08-06 JP claimed
US-20020035064-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination BRISTOL-MYERS SQUIBB COMPANY 2002-03-21 US claimed
US-6124306-A Thioalkyl alpha substituted pyrimidine compounds PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US claimed
EP-1034167-A1 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-13 EP claimed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US claimed
WO-2000015230-A1 METHOD FOR TREATING ATHEROSCLEROSIS EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO claimed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP claimed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO 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 (2 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-20020035064-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 ITGB2 3609/4885ICAM1 3185/4885ITGAL 4001/4885
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 ITGB2 3609/4885ICAM1 3185/4885ITGAL 4001/4885

“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.