SCHEMBL2425932

SCHEMBL2425932

COC(=O)C(C)(C)Oc1cc(OC)c(OCCCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
PPARD Q03181 11/20 0.38
PPARA Q07869 6/20 0.38
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
PPARG P37231 3/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSA P10619 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL1375518 0.93 PPARD (0.44) MCHR1PPARDPPARAFFAR1FFAR4
SCHEMBL2426881 0.91 PPARD (0.41) MCHR1PPARDPPARAPPARGCTSA
SCHEMBL1377558 0.83 PPARD (0.47) PPARDPPARAPPARGCTSA
SCHEMBL2427016 0.82 PPARD (0.44) PPARDPPARAFFAR1FFAR4PPARG
SCHEMBL2424136 0.82 FFAR1 (0.38) MCHR1PPARDPPARAFFAR1FFAR4
SCHEMBL1376739 0.81 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL2420434 0.78 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL2421669 0.76 PPARD (0.39) PPARDPPARAFFAR1FFAR4PPARG
SCHEMBL1376252 0.76 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL5483844 0.75 PTPN2 (0.37) MCHR1PPARDPPARAFFAR1FFAR4

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 6 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-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 MCHR1 3829/4885PPARD 1/4885PPARA 3/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA MCHR1 3829/4885PPARD 1/4885PPARA 3/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA MCHR1 3829/4885PPARD 1/4885PPARA 3/4885

“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.