SCHEMBL5023263

SCHEMBL5023263

Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1COc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.54
PPARA Q07869 10/20 0.54
PPARG P37231 9/20 0.45
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CACNA1H O95180 1/20 0.39

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
SCHEMBL5016882 0.93 PPARD (0.45) PPARDPPARAPPARGTRPA1TRPV1
SCHEMBL5016855 0.90 PPARD (0.45) PPARDPPARAPPARGTRPA1TRPV1
SCHEMBL5022734 0.85 PPARG (0.49) PPARDPPARAPPARGTRPV1
SCHEMBL5023767 0.85 PPARD (0.45) PPARDPPARATRPA1
SCHEMBL5023743 0.84 PPARG (0.49) PPARDPPARAPPARGTRPV1
SCHEMBL5023230 0.84 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5016845 0.83 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL5027024 0.82 TRPV1 (0.43) PPARDPPARAPPARGTRPA1TRPV1
SCHEMBL5022637 0.81 PPARD (0.43) PPARDPPARAPPARGTRPA1TRPV1
SCHEMBL5023318 0.81 PPARD (0.43) PPARDPPARAPPARGTRPV1

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 3 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 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 PPARD 1/4885PPARA 2/4885PPARG 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.