SCHEMBL6239544

SCHEMBL6239544

COC(=O)COc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.83
PPARA Q07869 13/20 0.83
PPARG P37231 6/20 0.83
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL13647570 0.92 PPARD (0.82) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL28978919 0.91 PPARD (0.81) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL23139535 0.91 PPARD (0.83) PPARDPPARAPPARGMEN1ALDH1A1
Gw501516 SCHEMBL29356729 0.91 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1
Gw501516 SCHEMBL68714 0.91 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL17718105 0.91 PPARD (0.86) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4677048 0.90 PPARD (0.68) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5519969 0.90 PPARD (0.98) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL12402751 0.90 PPARD (0.67) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4673079 0.89 PPARD (0.66) PPARDPPARAPPARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same Kang, Heon Joong (KR) 2009-05-07 US disclosed
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same Kang, Heon Joong (KR) 2009-05-07 US disclosed
US-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-08-02 US disclosed
US-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-08-02 US disclosed
US-7241901-B2 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-07-10 US disclosed
US-7241901-B2 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-07-10 US disclosed
EP-1189895-B8 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP disclosed
US-6723740-B2 ADMINISTERING THERAPEUTIC AMOUNT OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA AGONIST TO LOWER TRIGLYCERIDES SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
US-6710063-B1 Activators of PPAR delta SMITHKLINE BEECHAM CORPORATION 2004-03-23 US disclosed
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides CHAO ESTHER YU-HSUAN (US) 2003-10-30 US disclosed
EP-1189895-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2002-03-27 EP disclosed
WO-2001000603-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2001-01-04 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 (4 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-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885PPARG 2/4885
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides PPARA, PPARD, PPARG PPARD 2/4885PPARA 1/4885PPARG 3/4885
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885

“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.