SCHEMBL4813374

SCHEMBL4813374

CC(=O)N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CSc2ccc(OC(C)C(=O)O)c(C)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.59
PPARA Q07869 16/20 0.59
PPARG P37231 3/20 0.53
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MGLL Q99685 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
SCHEMBL4808341 0.94 PPARD (0.59) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4805017 0.94 PPARD (0.59) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808319 0.93 PPARD (0.54) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4810536 0.93 PPARD (0.58) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808889 0.93 PPARD (0.58) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808687 0.93 PPARD (0.58) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4808193 0.92 PPARD (0.59) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4805540 0.92 PPARD (0.57) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4809114 0.92 PPARD (0.60) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL4805394 0.92 PPARD (0.59) 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 6 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

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.