SCHEMBL4574774

SCHEMBL4574774

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
PPARG P37231 9/20 0.39
ACACB O00763 3/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
CYP2C9 P11712 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALOX5 P09917 1/20 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
SCHEMBL4575158 0.91 PPARD (0.38) PPARGPPARDPPARACYP2C9ALOX5
SCHEMBL4574795 0.90 PPARG (0.38) PPARGPPARDPPARACYP2C9TRPM8
SCHEMBL4575643 0.88 DAGLA (0.40) PPARGCYP2C9TRPM8ALOX5
SCHEMBL4576134 0.87 PPARD (0.43) PTGDR2PPARDPPARATRPV1MRGPRX4
SCHEMBL4575952 0.86 PPARA (0.50) PTGDR2PPARGPPARDPPARA
SCHEMBL4575425 0.82 NR1H2 (0.40) TRPM8TRPV1
SCHEMBL4575153 0.81 PPARA (0.40) PTGDR2PPARGPPARDPPARACYP2C9
SCHEMBL4575412 0.81 PPARD (0.46) PTGDR2PPARGPPARDPPARACYP2C9
SCHEMBL4575465 0.81 TSHR (0.42) PPARGPPARDPPARA
SCHEMBL4575187 0.81 PPARA (0.38) PTGDR2PPARGPPARDPPARACYP2C9

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 4 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

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 PTGDR2 332/4885PPARG 1/4885ACACB 622/4885

“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.