SCHEMBL4252890

SCHEMBL4252890

Nc1ncc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.64
ALOX5 P09917 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PTGS2 P35354 1/20 0.43
USP8 P40818 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PTK2 Q05397 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2A6 P11509 1/20 0.40
TP53 P04637 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
SCHEMBL4247381 0.88 EPHX2 (0.62) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14409476 0.86 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245877 0.82 EPHX2 (0.59) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245873 0.82 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249803 0.81 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL447443 0.81 EPHX2 (0.61) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250848 0.81 EPHX2 (0.62) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245870 0.81 EPHX2 (0.65) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252882 0.80 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249709 0.78 EPHX2 (1.00) 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 5 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
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP 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.