SCHEMBL2425237

SCHEMBL2425237

OCc1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN5A Q14524 2/20 0.40
HDAC1 Q13547 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
GIPR P48546 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL2422363 0.90 GCGR (0.42) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL2421582 0.88 MAPT (0.44) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL2426189 0.85 GCGR (0.50) GCGRCYP3A4CYP2C8CYP2C9GIPR
SCHEMBL14445954 0.85 GCGR (0.42) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL2424700 0.84 CYP1A2 (0.40) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL4682127 0.83 GCGR (0.53) GCGRMAPTGAARECQLHDAC1
SCHEMBL5023766 0.82 KCNJ6 (0.40) HDAC1ADORA3SCN9A
SCHEMBL4677624 0.82 GCGR (0.41) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL508428 0.81 MAPT (0.45) GCGRCYP1A2MAPTMAPK1KDM4E
SCHEMBL14445949 0.81 GCGR (0.51) GCGRMAPTHDAC1CYP3A4CYP2C8

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
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO 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 (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 27/4885CYP1A2 94/4885MAPT 4133/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA GCGR 27/4885CYP1A2 94/4885MAPT 4133/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA GCGR 27/4885CYP1A2 94/4885MAPT 4133/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG GCGR 84/4885CYP1A2 184/4885MAPT 3559/4885

“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.