SCHEMBL2424136

SCHEMBL2424136

COC(=O)C(C)(C)Oc1cc(Cl)c(OCCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
GCGR P47871 5/20 0.36
PPARA Q07869 8/20 0.36
PPARD Q03181 7/20 0.36
PPARG P37231 4/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 1/20 0.35
DHODH Q02127 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL1379552 0.91 PPARA (0.44) FFAR1FFAR4GCGRPPARAPPARD
SCHEMBL2421669 0.91 PPARD (0.39) FFAR1FFAR4GCGRPPARAPPARD
SCHEMBL1378075 0.82 PPARA (0.45) GCGRPPARAPPARDPPARGKDM5A
SCHEMBL2425932 0.82 MCHR1 (0.39) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL2420434 0.79 PPARD (0.45) PPARAPPARDPPARG
SCHEMBL1376252 0.77 PPARD (0.55) PPARAPPARDPPARG
SCHEMBL2426881 0.77 PPARD (0.41) PPARAPPARDPPARGMCHR1
SCHEMBL2422902 0.76 PPARA (0.42) PPARAPPARDPPARG
SCHEMBL1378954 0.75 PPARA (0.45) PPARAPPARDPPARG
SCHEMBL2427016 0.75 PPARD (0.44) FFAR1FFAR4PPARAPPARDPPARG

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 FFAR1 24/4885FFAR4 33/4885GCGR 27/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA FFAR1 24/4885FFAR4 33/4885GCGR 27/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA FFAR1 24/4885FFAR4 33/4885GCGR 27/4885

“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.