SCHEMBL13702007

SCHEMBL13702007

CCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.60
ALOX5 P09917 1/20 0.56
TBXAS1 P24557 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
TEK Q02763 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4246048 0.92 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701915 0.90 EPHX2 (0.60) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702008 0.90 EPHX2 (0.69) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4648845 0.86 EPHX2 (0.66) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248804 0.85 EPHX2 (0.77) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251608 0.85 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250463 0.83 EPHX2 (0.70) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251445 0.83 EPHX2 (0.72) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4254033 0.82 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251772 0.82 EPHX2 (0.73) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO 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 (1 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885ALOX5 60/4885TBXAS1 221/4885

“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.