SCHEMBL5100255

SCHEMBL5100255

COC(=O)C(C)(Cc1ccc(OCCN2CCSc3ccccc32)cc1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
THRB P10828 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.41
PPARD Q03181 3/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL5107482 0.92 PPARA (0.53) MAPTTP53LMNAPPARAPPARG
SCHEMBL5100515 0.84 MAPT (0.53) MAPTTP53LMNAPPARAPPARG
SCHEMBL5113263 0.82 PPARA (0.45) MAPTLMNAPPARAPPARGRXFP1
SCHEMBL6912068 0.81 MAPT (0.52) MAPTTP53LMNATHRBHDAC1
SCHEMBL5101123 0.80 MAPT (0.53) MAPTTP53LMNAPPARAPPARG
SCHEMBL7260974 0.76 MAPT (0.47) MAPTTP53LMNATHRBHDAC1
SCHEMBL5100827 0.76 PPARG (0.53) MAPTTP53LMNAPPARAPPARG
SCHEMBL5101155 0.75 MAPT (0.53) MAPTTP53LMNAPPARAPPARG
SCHEMBL5100503 0.74 LMNA (0.54) MAPTTP53LMNAPPARAPPARG
SCHEMBL5434965 0.74 MAPT (0.52) MAPTTP53LMNAPPARAPPARG

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-6846824-B2 Bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2005-01-25 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 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 (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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 MAPT 209/4885TP53 3892/4885LMNA 664/4885
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them SLC5A1, CYP11B1, CYP4A11 MAPT 124/4885TP53 2280/4885LMNA 513/4885

“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.