SCHEMBL5016818

SCHEMBL5016818

Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)cc2c1ccn2CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.41
PPARA Q07869 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TRPA1 O75762 1/20 0.36
BRD4 O60885 1/20 0.35
ALOX5AP P20292 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL5023767 0.90 PPARD (0.45) PPARDPPARATRPA1KDM5AKDM2B
SCHEMBL5027024 0.81 TRPV1 (0.43) PPARDPPARATRPA1ALOX5APMAPT
SCHEMBL5016855 0.79 PPARD (0.45) PPARDPPARATRPA1
SCHEMBL5016882 0.79 PPARD (0.45) PPARDPPARATRPA1ALOX5AP
SCHEMBL5022786 0.78 MCL1 (0.43) HDAC6MAPT
SCHEMBL6064771 0.77 PPARD (0.37) PPARDPPARABRD4KDM4EGAA
SCHEMBL5023263 0.77 PPARD (0.54) PPARDPPARATRPA1
SCHEMBL1380117 0.76 PPARD (0.61) PPARDPPARA
SCHEMBL5022805 0.74 MCL1 (0.44) PPARDPPARATRPA1MAPT
SCHEMBL5016771 0.74 MCHR1 (0.44) PPARDPPARAKDM4E

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 PPARD 1/4885PPARA 2/4885HDAC6 1018/4885

“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.