SCHEMBL2117360

SCHEMBL2117360

CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(OC)cc3)CC2)ccc1OCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.54
PPARA Q07869 9/20 0.54
PPARG P37231 3/20 0.54
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL4810419 0.95 PPARD (0.52) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4809886 0.93 PPARD (0.53) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4809868 0.93 PPARD (0.56) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4808025 0.93 PPARD (0.65) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4803322 0.92 PPARD (0.54) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4808683 0.91 PPARD (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL4802632 0.91 PPARD (0.53) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4862555 0.90 PPARD (0.52) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4811165 0.89 PPARD (0.56) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4804962 0.89 PPARD (0.51) PPARDPPARAPPARGFFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229998-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2007-06-12 US claimed
US-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS BANKER PIERETTE 2007-03-29 US claimed
US-20060052603-A1 Process for preparing substituted phenoxy-acetic acids from phenols SMITHLKINE BEECHAM CORPORATION 2006-03-09 US claimed
EP-1546124-A1 PROCESS FOR PREPARING SUBSTITUTED PHENOXY-ACETIC ACIDS FROM PHENOLS SmithKline Beecham Corporation (US) 2005-06-29 EP claimed
EP-1349843-B1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-04-20 EP claimed
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions SMITHKLINE BEECHAM CORPORATION 2004-04-22 US claimed
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION 2004-04-15 US claimed
WO-2004026849-A1 PROCESS FOR PREPARING SUBSTITUTED PHENOXY-ACETIC ACIDS FROM PHENOLS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-01 WO claimed
EP-1368011-A1 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES SmithKline Beecham Corporation (US) 2003-12-10 EP claimed
EP-1349843-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2003-10-08 EP claimed
WO-2002067912-A2 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES OR CONDITIONS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 WO claimed
WO-2002059098-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO claimed
CN-105512415-B A kind of batch approximating method of non-linear dose-effect curve 青岛农业大学 2018-07-10 CN disclosed
US-20120094959-A1 TREATMENT OF CYSTIC DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2012-04-19 US disclosed
US-20110224264-A1 MEDICAMENTS BROWN KATHLEEN KEATING 2011-09-15 US disclosed
US-20110224264-A1 MEDICAMENTS BROWN KATHLEEN KEATING 2011-09-15 US disclosed
EP-1368011-A1 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
EP-1349843-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2003-10-08 EP disclosed
WO-2002067912-A2 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES OR CONDITIONS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 WO disclosed
WO-2002059098-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-08-01 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-20110224264-A1 MEDICAMENTS GLS, PKD1, ATP6V1B1 PPARD 7/4885PPARA 4/4885PPARG 6/4885
US-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885PPARG 2/4885
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20060052603-A1 Process for preparing substituted phenoxy-acetic acids from phenols HPD, PAH, GNPAT PPARD 695/4885PPARA 194/4885PPARG 100/4885
US-20120094959-A1 TREATMENT OF CYSTIC DISEASES CFTR, LPCAT3, LPCAT1 PPARD 21/4885PPARA 27/4885PPARG 35/4885
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.