SCHEMBL6017259

SCHEMBL6017259

Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1COc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.68
PPARA Q07869 11/20 0.62
PPARG P37231 9/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL6029270 0.91 PPARD (0.55) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL6017234 0.88 PPARD (0.63) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL5617386 0.86 PPARD (0.64) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL5630993 0.83 PPARD (0.48) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL6017210 0.81 PPARD (0.58) PPARDPPARAPPARGMCL1
SCHEMBL6108975 0.81 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL5016717 0.81 PPARD (0.74) PPARDPPARAPPARG
SCHEMBL6017772 0.80 PPARD (0.55) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL6029201 0.80 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL6029336 0.80 PPARD (0.51) PPARDPPARAPPARGGRIN1GRIN2B

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-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US claimed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO 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.