SCHEMBL4248317

SCHEMBL4248317

O=C(O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.72
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ALOX5 P09917 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NTRK1 P04629 1/20 0.49
USP8 P40818 1/20 0.49
PDK2 Q15119 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LDHA P00338 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PTGER1 P34995 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMO O15229 1/20 0.46
GRM5 P41594 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL21935301 0.88 EPHX2 (0.66) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702014 0.86 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252882 0.85 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14409476 0.84 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4254875 0.84 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4256182 0.83 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250658 0.82 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245833 0.82 EPHX2 (0.71) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL447443 0.81 EPHX2 (0.61) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250827 0.81 EPHX2 (0.70) 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 6 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
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 2/4885MKNK1 3730/4885MKNK2 4066/4885

“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.