SCHEMBL4812072

SCHEMBL4812072

CCOC(=O)C(C)Oc1ccc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.49
PPARA Q07869 6/20 0.49
PPARG P37231 1/20 0.46
PRKAB2 O43741 5/20 0.42
PRKAG1 P54619 5/20 0.42
PRKAA2 P54646 5/20 0.42
PRKAA1 Q13131 5/20 0.42
PRKAG3 Q9UGI9 5/20 0.42
PRKAG2 Q9UGJ0 5/20 0.42
PRKAB1 Q9Y478 5/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 2/20 0.42
LMNA P02545 1/20 0.40
LSS P48449 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4853246 0.94 PPARD (0.54) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL4807376 0.94 PPARD (0.51) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL4813407 0.93 PPARD (0.53) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL4809108 0.92 PPARD (0.49) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL4809467 0.92 PPARD (0.51) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL5410116 0.91 PPARD (0.48) PPARDPPARAPPARGPRKAB2PRKAG1
SCHEMBL4803182 0.90 PPARD (0.55) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL4809249 0.90 PPARD (0.53) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL4807410 0.90 PPARD (0.56) PPARDPPARAPPARGMAPTCYP3A4
SCHEMBL4808319 0.90 PPARD (0.54) PPARDPPARAPPARGMAPTCYP3A4

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.