SCHEMBL5022631

SCHEMBL5022631

CCOC(=O)Cn1ccc2ccc(OCc3cc(-c4ccc(OC(F)(F)F)cc4)nn3C(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
PPARD Q03181 7/20 0.38
MCL1 Q07820 2/20 0.38
TRPA1 O75762 1/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.35
GRIN2B Q13224 1/20 0.35
GCGR P47871 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5AP P20292 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5027024 0.90 TRPV1 (0.43) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL5022637 0.89 PPARD (0.43) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL5016803 0.87 PPARD (0.40) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL5016855 0.84 PPARD (0.45) TRPV1PPARDTRPA1PPARAPPARG
SCHEMBL5022805 0.83 MCL1 (0.44) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL5016774 0.82 MCL1 (0.45) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL5016769 0.82 PPARD (0.44) PPARDMCL1PPARAPPARGGRIN2B
SCHEMBL5022715 0.81 MCL1 (0.40) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL6029437 0.81 TRPV1 (0.40) TRPV1PPARDMCL1TRPA1PPARA
SCHEMBL6030670 0.81 PPARD (0.40) TRPV1PPARDMCL1TRPA1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG TRPV1 845/4885PPARD 1/4885MCL1 2737/4885

“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.