SCHEMBL6017246

SCHEMBL6017246

CCOC(=O)Cn1ccc2c(OCCc3ccc(-c4ccc(C(F)(F)F)cc4)nc3C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.43
PPARA Q07869 9/20 0.43
PPARD Q03181 8/20 0.43
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL6028635 0.91 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL4432117 0.79 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL6017213 0.76 PPARD (0.47) PPARGPPARAPPARDGRIN1GRIN2B
SCHEMBL6017182 0.76 PKM (0.40) PPARGPPARAPPARD
SCHEMBL6030489 0.75 PPARD (0.48) PPARGPPARAPPARDGRIN1GRIN2B
SCHEMBL6029170 0.75 MCL1 (0.41) PPARGPPARAPPARDGRIN1GRIN2B
SCHEMBL5017192 0.75 PPARD (0.45) PPARGPPARAPPARD
SCHEMBL4424891 0.74 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL5015488 0.74 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6029484 0.73 PPARD (0.50) PPARGPPARAPPARD

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
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 PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.