SCHEMBL5023767

SCHEMBL5023767

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.45
PPARA Q07869 4/20 0.40
TRPA1 O75762 1/20 0.37
PTGER4 P35408 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
FFAR1 O14842 1/20 0.37
GRIN2B Q13224 1/20 0.36
GCGR P47871 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
SCHEMBL5016818 0.90 PPARD (0.41) PPARDPPARATRPA1PTGER4KDM5A
SCHEMBL5016882 0.87 PPARD (0.45) PPARDPPARATRPA1
SCHEMBL5023263 0.85 PPARD (0.54) PPARDPPARATRPA1
SCHEMBL5022734 0.79 PPARG (0.49) PPARDPPARA
SCHEMBL5027024 0.79 TRPV1 (0.43) PPARDPPARATRPA1FFAR1GRIN2B
SCHEMBL5023743 0.79 PPARG (0.49) PPARDPPARA
SCHEMBL5023230 0.78 PPARD (0.55) PPARDPPARAFFAR1GRIN2B
SCHEMBL5016855 0.77 PPARD (0.45) PPARDPPARATRPA1GRIN2B
SCHEMBL1380117 0.77 PPARD (0.61) PPARDPPARA
SCHEMBL5022637 0.76 PPARD (0.43) PPARDPPARATRPA1GCGR

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 3 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
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885TRPA1 1040/4885

“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.