SCHEMBL4803773

SCHEMBL4803773

Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2COC2CCCCO2)ccc1OCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.67
PPARA Q07869 12/20 0.67
PPARG P37231 5/20 0.67
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4812103 0.92 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808548 0.92 PPARD (0.55) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809692 0.90 PPARD (0.54) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4807884 0.88 PPARD (0.47) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4811835 0.86 PPARD (0.52) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809514 0.83 PPARD (0.69) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4807344 0.83 PPARD (0.42) PPARDPPARAPPARGMEN1MAPT
SCHEMBL5517495 0.83 PPARD (0.82) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4801459 0.83 PPARD (0.82) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5526136 0.83 PPARD (0.76) 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 11 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-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions SMITHKLINE BEECHAM CORPORATION 2004-04-22 US 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-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 (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-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-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
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.