SCHEMBL4574795

SCHEMBL4574795

CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(Br)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
ALOX5 P09917 1/20 0.38
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
TRPM8 Q7Z2W7 6/20 0.34

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
SCHEMBL4575120 0.91 CYP1A2 (0.39) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL4575187 0.91 PPARA (0.38) PPARGALOX5PPARDPPARACYP2C9
SCHEMBL4575158 0.91 PPARD (0.38) PPARGALOX5PPARDPPARACYP2C9
SCHEMBL4574774 0.90 PTGDR2 (0.41) PPARGALOX5PPARDPPARACYP2C9
SCHEMBL4575643 0.88 DAGLA (0.40) PPARGALOX5CYP2C9DAGLATRPM8
SCHEMBL4575177 0.87 PPARD (0.43) PPARDPPARACYP1A2CYP2D6CYP2C19
SCHEMBL4575318 0.86 PPARA (0.42) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL4576170 0.82 CETP (0.35) TRPM8
SCHEMBL4575412 0.81 PPARD (0.46) PPARGPPARDPPARACYP2C9
SCHEMBL4575153 0.81 PPARA (0.40) PPARGPPARDPPARACYP2C9

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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 (1 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARG 1/4885ALOX5 744/4885PPARD 3/4885

“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.