SCHEMBL510552

SCHEMBL510552

Cc1cc2c([c]c1Cl)OCO2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.30
NPC1 O15118 3/20 0.30
CASP3 P42574 3/20 0.30
RAB9A P51151 3/20 0.30
SENP7 Q9BQF6 3/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8005199 0.69 CYP3A4 (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2022289 0.69 CD44 (0.46) MAPTNPC1CASP3RAB9ASENP7
SCHEMBL2231134 0.66 CYP3A4 (0.35)
SCHEMBL8570298 0.65 ABCG2 (0.37) MAPTNPC1RAB9APOLBMEN1
SCHEMBL5871901 0.65 MAOB (0.33) NPC1RAB9A
SCHEMBL2595348 0.65 ABCG2 (0.37) NPC1RAB9A
SCHEMBL512386 0.64 KDM4E (0.31) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6847374 0.61 ABCG2 (0.37)
SCHEMBL3663402 0.61 ACHE (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7431425 0.60 ABCG2 (0.41) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121129-B1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND ASSOCIATED COMBINATIONS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 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
EP-1121129-A4 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL MYERS SQUIBB CO (US) 2002-10-16 EP 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-2002524517-A 2002-08-06 JP 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
EP-1121129-A1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-08 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
WO-2000015229-A1 METHOD FOR TREATING DIABETES 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-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO 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 MAPT 3496/4885NPC1 145/4885CASP3 4036/4885
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 MAPT 3496/4885NPC1 145/4885CASP3 4036/4885

“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.