SCHEMBL2426189

SCHEMBL2426189

O=C(O)Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.50
GIPR P48546 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.41

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
SCHEMBL2425237 0.85 GCGR (0.43) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2421582 0.84 MAPT (0.44) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2430111 0.83 GCGR (0.47) GCGRSUCNR1
SCHEMBL2422363 0.83 GCGR (0.42) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL6065408 0.80 PPARD (0.40) GCGRGIPRCYP2C9
SCHEMBL2424700 0.80 CYP1A2 (0.40) GCGR
SCHEMBL6064773 0.78 GCGR (0.38) GCGR
SCHEMBL5023318 0.77 PPARD (0.43) GCGR
SCHEMBL2428624 0.77 MAPT (0.56) GCGR
SCHEMBL5023328 0.76 PPARG (0.48) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US disclosed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US disclosed
EP-1742923-B1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
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-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245589-A1 Pyrazole phenyl derivatives HOFFMANN-LA ROCHE INC. 2005-11-03 US 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 (4 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-20100035953-A1 Pyrazole Phenyl Derivatives PPARD, PPARG, PPARA GCGR 27/4885GIPR 107/4885CYP3A4 45/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA GCGR 27/4885GIPR 107/4885CYP3A4 45/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA GCGR 27/4885GIPR 107/4885CYP3A4 45/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG GCGR 84/4885GIPR 42/4885CYP3A4 165/4885

“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.