SCHEMBL6017305

SCHEMBL6017305

O=C(O)Cn1ccc2ccc(OCc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3C(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.49
PPARA Q07869 11/20 0.46
PPARG P37231 9/20 0.46
TRPV1 Q8NER1 1/20 0.41
MCL1 Q07820 1/20 0.40
PTGER4 P35408 1/20 0.38

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
SCHEMBL6030670 0.89 PPARD (0.40) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL6029767 0.86 PPARD (0.49) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL6029393 0.84 PPARD (0.51) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL6017210 0.82 PPARD (0.58) PPARDPPARAPPARGMCL1
SCHEMBL5016882 0.81 PPARD (0.45) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL5617211 0.80 PPARD (0.49) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL5023318 0.79 PPARD (0.43) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL5022637 0.79 PPARD (0.43) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL5617170 0.78 PPARD (0.44) PPARDPPARAPPARGTRPV1MCL1
SCHEMBL5617221 0.78 PPARD (0.59) 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 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.