SCHEMBL1600737

SCHEMBL1600737

COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.71
PPARA Q07869 9/20 0.71
PPARG P37231 5/20 0.71

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
SCHEMBL1548952 0.94 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL5508795 0.92 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL4110321 0.91 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5511651 0.89 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL5508820 0.86 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL5519825 0.86 PPARD (0.71) PPARDPPARAPPARG
SCHEMBL5505976 0.86 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL4124232 0.84 PPARD (0.70) PPARDPPARAPPARG
SCHEMBL5511310 0.84 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL1602178 0.83 PPARD (1.00) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US claimed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US claimed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US claimed
EP-1994015-B1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PROD INC (US) 2013-04-24 EP disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists FELSTEAD STEPHEN JOHN 2010-10-21 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
EP-1994015-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS Pfizer Products Inc. (US) 2008-11-26 EP disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-20070213314-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070088069-A1 Novel imidazoles WARNER-LAMBERT COMPANY LLC 2007-04-19 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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 (6 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-20070213314-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP PPARD 208/4885PPARA 258/4885PPARG 430/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
US-20070088069-A1 Novel imidazoles APOB, LIPC, LIPG PPARD 175/4885PPARA 300/4885PPARG 226/4885
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists CETP, CCR5, MTTP PPARD 424/4885PPARA 423/4885PPARG 736/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885

“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.