SCHEMBL4575643

SCHEMBL4575643

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.40
PPARG P37231 2/20 0.38
ALOX5 P09917 1/20 0.38
DAGLB Q8NCG7 2/20 0.38
EPHX1 P07099 1/20 0.37
ADRB3 P13945 5/20 0.37
CYP2C9 P11712 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
TBXAS1 P24557 2/20 0.36

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
SCHEMBL4575837 0.91 PPARA (0.41) PPARGADRB3
SCHEMBL4575158 0.89 PPARD (0.38) PPARGALOX5CYP2C9
SCHEMBL4574774 0.88 PTGDR2 (0.41) PPARGALOX5CYP2C9TRPM8
SCHEMBL4574795 0.88 PPARG (0.38) DAGLAPPARGALOX5CYP2C9TRPM8
SCHEMBL4575101 0.85 FFAR1 (0.41) DAGLAPPARGTRPM8
SCHEMBL4575828 0.85 PPARA (0.47) PPARG
SCHEMBL4575060 0.84 BCHE (0.43) TRPM8
SCHEMBL4576198 0.81 PPARA (0.44) PPARG
SCHEMBL4575576 0.80 PPARA (0.50) PPARG
SCHEMBL4575105 0.79 PPARA (0.52) PPARG

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 DAGLA 235/4885PPARG 1/4885ALOX5 744/4885

“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.