SCHEMBL512386

SCHEMBL512386

Cc1c[c]c2c(c1)OCO2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 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
SCHEMBL5871901 0.77 MAOB (0.33) NPC1RAB9AABCG2
SCHEMBL5871995 0.75 NPC1 (0.36) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17289116 0.68
SCHEMBL7047825 0.65 CYP3A4 (0.35) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL510552 0.64 MAPT (0.30) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL349707 0.64
SCHEMBL30968 0.64 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL30452062 0.64 ALDH1A1 (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL16369469 0.62 CYP19A1 (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL8764874 0.62 ALDH1A1 (0.53) KDM4ENPC1ALDH1A1MAPTRAB9A

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 74 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
EP-1032393-B1 QUINOLINE-CONTAINING ALPHA-KETOAMIDE CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 2006-08-09 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-2002524518-A 2002-08-06 JP claimed
JP-2002524517-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-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 KDM4E 3592/4885NPC1 145/4885ALDH1A1 4196/4885
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 KDM4E 3592/4885NPC1 145/4885ALDH1A1 4196/4885

“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.