SCHEMBL5628880

SCHEMBL5628880

O=C(O)Cn1ccc2ccc(OCCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C3CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.49
PPARA Q07869 14/20 0.49
PPARG P37231 12/20 0.49
MCL1 Q07820 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL6017772 0.93 PPARD (0.55) PPARDPPARAPPARGMCL1GRIN1
SCHEMBL6028937 0.90 GRIN2B (0.41) PPARDPPARAPPARGMCL1GRIN1
SCHEMBL5617386 0.87 PPARD (0.64) PPARDPPARAPPARGMCL1GRIN1
SCHEMBL6030172 0.83 PPARD (0.44) PPARDPPARAMCL1GRIN1GRIN2B
SCHEMBL1378661 0.79 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL6029484 0.79 PPARD (0.50) PPARDPPARAPPARGMCL1
SCHEMBL5015483 0.78 PPARD (0.56) PPARDPPARAPPARGMCL1
SCHEMBL6017141 0.77 PPARA (0.39) PPARDPPARAPPARG
SCHEMBL6029336 0.77 PPARD (0.51) PPARDPPARAPPARGMCL1GRIN1
SCHEMBL5016851 0.76 PPARD (0.49) PPARDPPARAPPARGMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509996-A 2007-04-19 JP claimed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US claimed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO claimed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
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.