SCHEMBL5628280

SCHEMBL5628280

O=C(O)Cn1ccc2ccc(OCc3c(C(F)(F)F)cc(-c4ccc(OC(F)(F)F)cc4)nc3CC3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.43
PPARA Q07869 11/20 0.43
PPARG P37231 7/20 0.40
MMP12 P39900 1/20 0.38
MCL1 Q07820 1/20 0.37
CHRM4 P08173 2/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL6017238 0.90 PPARD (0.37) PPARDPPARAPPARGMMP12MCL1
SCHEMBL5617170 0.88 PPARD (0.44) PPARDPPARAPPARGMMP12MCL1
SCHEMBL5617211 0.86 PPARD (0.49) PPARDPPARAPPARGMCL1TRPV1
SCHEMBL6029767 0.81 PPARD (0.49) PPARDPPARAPPARGMCL1TRPV1
SCHEMBL6028662 0.80 PPARD (0.39) PPARDPPARAPPARGMCL1TRPV1
SCHEMBL5617157 0.78 PPARD (0.53) PPARDPPARAPPARGMCL1
SCHEMBL1549780 0.78 PPARD (0.55) PPARDPPARA
SCHEMBL6017170 0.77 PPARD (0.38) PPARDPPARAPPARGMMP12CHRM4
SCHEMBL6017577 0.77 ALDH1A1 (0.43) PPARDPPARAPPARGMCL1TRPV1
SCHEMBL6017305 0.76 PPARD (0.49) PPARDPPARAPPARGMCL1TRPV1

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.