SCHEMBL2422902

SCHEMBL2422902

CCOC(=O)C(C)(C)Oc1cccc(OCCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
FBP1 P09467 5/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
NTRK1 P04629 1/20 0.39
CNR1 P21554 1/20 0.37
ELANE P08246 2/20 0.37
GRM2 Q14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM5 P08912 1/20 0.36
PPARD Q03181 1/20 0.36
SLC34A1 Q06495 1/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL1378954 0.89 PPARA (0.45) PPARAPPARGNTRK1PPARD
SCHEMBL2420434 0.89 PPARD (0.45) PPARAPPARGHRH2HRH1FBP1
SCHEMBL2427016 0.85 PPARD (0.44) PPARAPPARGHRH2HRH1FBP1
SCHEMBL2424756 0.80 PPARD (0.50) PPARAPPARD
SCHEMBL2425200 0.80 PPARD (0.41) PPARAPPARGHRH2HRH1FBP1
SCHEMBL1376252 0.79 PPARD (0.55) PPARAPPARGPPARD
SCHEMBL2424272 0.78 PPARD (0.43) PPARAPPARGHRH2HRH1FBP1
SCHEMBL2422246 0.77 POLB (0.46) HRH2HRH1TSHRELANESLC34A1
SCHEMBL5022805 0.77 MCL1 (0.44) PPARAPPARGHRH2HRH1PPARD
SCHEMBL2424136 0.76 FFAR1 (0.38) PPARAPPARGPPARD

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 PPARA 3/4885PPARG 2/4885HRH2 724/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA PPARA 3/4885PPARG 2/4885HRH2 724/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA PPARA 3/4885PPARG 2/4885HRH2 724/4885

“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.