SCHEMBL1380038

SCHEMBL1380038

Cc1c(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)ccc(OC(C)(C)C(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.49
PPARA Q07869 16/20 0.49
PPARG P37231 11/20 0.44
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL1380117 0.91 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL2425200 0.90 PPARD (0.41) PPARDPPARAPPARGKDM5AKDM2B
SCHEMBL1378075 0.89 PPARA (0.45) PPARDPPARAPPARGKDM5AKDM2B
SCHEMBL1377558 0.87 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL1376252 0.83 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL1376739 0.83 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL5904770 0.82 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL5904729 0.81 PPARA (0.62) PPARDPPARAPPARG
SCHEMBL2424756 0.81 PPARD (0.50) PPARDPPARA
SCHEMBL2421669 0.80 PPARD (0.39) PPARDPPARAPPARGKDM5AKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US claimed
JP-4733692-B2 2011-07-27 JP claimed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US claimed
EP-1742923-B1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP claimed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO claimed
US-20050245589-A1 Pyrazole phenyl derivatives HOFFMANN-LA ROCHE INC. 2005-11-03 US claimed
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-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PPARD 1/4885PPARA 3/4885PPARG 2/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885PPARG 2/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885PPARG 2/4885

“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.