SCHEMBL2425200

SCHEMBL2425200

CCOC(=O)C(C)(C)Oc1ccc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.41
PPARA Q07869 4/20 0.40
CYP1A2 P05177 3/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
SLC34A1 Q06495 1/20 0.38
ELANE P08246 2/20 0.38
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
FFAR1 O14842 1/20 0.36
CNR1 P21554 1/20 0.36
FAAH O00519 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL2424756 0.91 PPARD (0.50) PPARDPPARA
SCHEMBL1380038 0.90 PPARD (0.49) PPARDPPARAKDM5AKDM2BKDM4C
SCHEMBL2420434 0.84 PPARD (0.45) PPARDPPARACYP1A2ABCB11CYP3A4
SCHEMBL2427016 0.84 PPARD (0.44) PPARDPPARAHRH2HRH1FFAR1
SCHEMBL2421669 0.81 PPARD (0.39) PPARDPPARACYP1A2KDM5AKDM2B
SCHEMBL2426881 0.81 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL1380117 0.81 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL2426059 0.80 PPARD (0.49) PPARDPPARA
SCHEMBL2423631 0.80 PPARD (0.48) PPARDPPARA
SCHEMBL2422902 0.80 PPARA (0.42) PPARDPPARACYP1A2ABCB11CYP3A4

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 PPARD 1/4885PPARA 3/4885CYP1A2 94/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885CYP1A2 94/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885CYP1A2 94/4885

“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.