SCHEMBL6029201

SCHEMBL6029201

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.59
PPARA Q07869 15/20 0.57
PPARG P37231 13/20 0.49

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
SCHEMBL6029484 0.93 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL6030489 0.91 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL6017210 0.84 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL6029170 0.84 MCL1 (0.41) PPARDPPARAPPARG
SCHEMBL5016845 0.83 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL6421729 0.82 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL6028635 0.82 PPARG (0.51) PPARDPPARAPPARG
SCHEMBL6109535 0.82 PPARA (0.65) PPARDPPARAPPARG
SCHEMBL5667439 0.80 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL6017259 0.80 PPARD (0.68) PPARDPPARAPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents 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.