Sugi Predict

Sugi Predict / Compounds / SCHEMBL4245864

SCHEMBL4245864

SCHEMBL4245864

COc1ccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.71
▸ ALOX5 P09917 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ROCK2 O75116 1/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ ABCC1 P33527 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ TEK Q02763 1/20 0.40

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
SCHEMBL4246313 0.92 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251829 0.91 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246068 0.91 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701868 0.89 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4255876 0.89 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249968 0.89 EPHX2 (0.78) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252199 0.88 EPHX2 (0.74) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248352 0.88 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507869 0.88 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249058 0.87 EPHX2 (0.78) 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 2/4885ALOX5 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.