SCHEMBL5022734

SCHEMBL5022734

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CCOc1ccc2ccn(CC(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.49
PPARD Q03181 8/20 0.49
PPARA Q07869 8/20 0.49
MCL1 Q07820 9/20 0.47
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL5023743 0.96 PPARG (0.49) PPARGPPARDPPARAMCL1TRPV1
SCHEMBL5016882 0.92 PPARD (0.45) PPARGPPARDPPARAMCL1TRPV1
SCHEMBL5016851 0.91 PPARD (0.49) PPARGPPARDPPARAMCL1
SCHEMBL5022805 0.90 MCL1 (0.44) PPARGPPARDPPARAMCL1TRPV1
SCHEMBL5023328 0.88 PPARG (0.48) PPARGPPARDPPARAMCL1TRPV1
SCHEMBL5022823 0.87 PPARD (0.50) PPARGPPARDPPARAMCL1
SCHEMBL5016774 0.86 MCL1 (0.45) PPARGPPARDPPARAMCL1TRPV1
SCHEMBL5023263 0.85 PPARD (0.54) PPARGPPARDPPARATRPV1
SCHEMBL5016845 0.84 PPARD (0.57) PPARGPPARDPPARA
SCHEMBL5023230 0.83 PPARD (0.55) PPARGPPARDPPARAMCL1

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
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP claimed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US claimed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US claimed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 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.