SCHEMBL4808683

SCHEMBL4808683

COc1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CSc3ccc(OCC(=O)O)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.51
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
FFAR1 O14842 4/20 0.47
HTR1A P08908 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
SCHEMBL4808025 0.92 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL2117360 0.91 PPARD (0.54) PPARDPPARAPPARGFFAR1
SCHEMBL4808359 0.91 USP2 (0.48) HTR1A
SCHEMBL4802632 0.90 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL5999249 0.89 PPARD (0.42) PPARDPPARAPPARGFFAR1HTR1A
SCHEMBL4810419 0.89 PPARD (0.52) PPARDPPARAPPARGFFAR1
SCHEMBL4808451 0.89 PPARA (0.59) PPARDPPARAPPARG
SCHEMBL4851159 0.88 PPARD (0.51) PPARDPPARAPPARGFFAR1HTR1A
SCHEMBL2902922 0.88 PPARD (0.47) PPARDPPARAPPARGHTR1A
SCHEMBL681341 0.86 PPARD (0.44) PPARDPPARAPPARGHTR1A

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 PPARD 1/4885PPARA 3/4885PPARG 2/4885
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GPR119, PPARA, PPARG PPARD 4/4885PPARA 2/4885PPARG 3/4885
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.