SCHEMBL5081077

SCHEMBL5081077

CCOC(Cc1ccc(OCCN2CCSc3ccccc32)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.63
PPARA Q07869 17/20 0.61
PPARD Q03181 3/20 0.58
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL14265747 1.00 PPARG (0.63) PPARGPPARAPPARDLMNATP53
SCHEMBL7255050 1.00 PPARG (0.63) PPARGPPARAPPARDLMNATP53
Tromethamine SCHEMBL7525169 0.94 PPARG (0.56) PPARGPPARAPPARDLMNATP53
N-Benzylmethylamine SCHEMBL7524220 0.93 PPARG (0.56) PPARGPPARAPPARDLMNATP53
SCHEMBL14265735 0.92 PPARG (0.54) PPARGPPARAPPARDLMNATP53
SCHEMBL5108315 0.92 LMNA (0.53) PPARGPPARAPPARDLMNATP53
SCHEMBL5101120 0.92 PPARG (0.53) PPARGPPARAPPARDLMNATP53
SCHEMBL7528025 0.91 PPARG (0.53) PPARGPPARAPPARDLMNATP53
SCHEMBL7528648 0.91 PPARG (0.53) PPARGPPARAPPARDLMNATP53
SCHEMBL5100503 0.91 LMNA (0.54) PPARGPPARAPPARDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US claimed
US-20070027197-A1 Pharmaceutical composition and method for the treatment of diseases using HMG-CoA reductase inhibitors and insulin secretion enhancers or sensitizers DAMON ROBERT E 2007-02-01 US claimed
EP-1523316-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITOR AND AN INSULIN SECRETOR ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2005-04-20 EP claimed
US-6809095-B2 NOVEL ANTITOBESITY AND HYPOCHOLESTEROLEMIC COMPOUNDS LOWER TOTAL CHOLESTEROL; INCREASE HIGH DENSITY LIPOPROTEIN (HDL) AND DECREASE LOW DENSTIY LIPOPROTEIN DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-26 US claimed
US-20040002519-A1 Combination of organic compounds DAMON ROBERT EDSON (US) 2004-01-01 US claimed
WO-2003080070-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITTOR AND AN INSULIN SECRETOR ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2003-10-02 WO claimed
JP-2002543194-A 2002-12-17 JP claimed
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY- CHEMINOR, INC. 2002-06-27 US claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US claimed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 US claimed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO claimed
US-20080261864-A1 Insulin signalling pathway modulators, compounds influencing a dysregulated hepatic glucose production, pyruvate dehydrogenase kinase (PDHK) inhibitors, inhibitors of gastric emptying, insulin, inhibitors of GSK-3, retinoid X receptor (RXR) agonists, agonists of uncoupling protein VILLHAUER EDWIN BERNARD 2008-10-23 US disclosed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO disclosed

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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 PPARG 158/4885PPARA 232/4885PPARD 198/4885
US-20070027197-A1 Pharmaceutical composition and method for the treatment of diseases using HMG-CoA reductase inhibitors and insulin secretion enhancers or sensitizers HMGCR, PCSK9, INSR PPARG 274/4885PPARA 247/4885PPARD 470/4885
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them SLC5A1, CYP11B1, CYP4A11 PPARG 618/4885PPARA 884/4885PPARD 629/4885
US-20080261864-A1 Insulin signalling pathway modulators, compounds influencing a dysregulated hepatic glucose production, pyruvate dehydrogenase kinase (PDHK) inhibitors, inhibitors of gastric emptying, insulin, inhibitors of GSK-3, retinoid X receptor (RXR) agonists, agonists of uncoupling protein PDK1, PDK3, GPR119 PPARG 57/4885PPARA 131/4885PPARD 51/4885
US-20040002519-A1 Combination of organic compounds HMGCR, SRD5A2, HSD17B7 PPARG 222/4885PPARA 254/4885PPARD 265/4885

“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.