SCHEMBL4803340

SCHEMBL4803340

COc1ccc(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
PPARD Q03181 10/20 0.51
PPARA Q07869 8/20 0.51
PPARG P37231 4/20 0.51
FFAR1 O14842 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL4807019 0.90 PPARD (0.47) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4809915 0.88 PPARD (0.52) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4810392 0.88 ALOX5 (0.51) ALOX5PPARDPPARAPPARGFFAR1
SCHEMBL4807401 0.86 MAPT (0.47) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4808139 0.85 MAPT (0.47) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4811676 0.84 PPARD (0.43) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4812857 0.84 KIF11 (0.46) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4810607 0.84 PPARD (0.45) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4805595 0.83 PPARD (0.45) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL4808536 0.81 MEN1 (0.67) PPARDPPARAPPARGFFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449468-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2008-11-11 US disclosed
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS BANKER PIERETTE 2007-09-27 US disclosed
US-7229998-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2007-06-12 US disclosed
US-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS BANKER PIERETTE 2007-03-29 US disclosed
EP-1349843-B1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-04-20 EP disclosed
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION 2004-04-15 US 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-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 (3 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-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS PPARD, PPARG, PPARA ALOX5 2107/4885PPARD 1/4885PPARA 3/4885
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GPR119, PPARA, PPARG ALOX5 710/4885PPARD 4/4885PPARA 2/4885
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors PPARA, PPARG, PPARD ALOX5 1736/4885PPARD 3/4885PPARA 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.