SCHEMBL4247404

SCHEMBL4247404

CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.58
EPHX2 P34913 4/20 0.55
NR3C2 P08235 2/20 0.48
ALOX5 P09917 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP1A2 P05177 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGS1 P23219 1/20 0.44
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL4247407 0.88 EPHX2 (0.65) PTGS2EPHX2NR3C2ALOX5TBXAS1
SCHEMBL4251821 0.87 EPHX2 (0.72) PTGS2EPHX2NR3C2ALOX5TBXAS1
SCHEMBL13701842 0.85 PTGS2 (0.52) PTGS2EPHX2NR3C2HDAC3HDAC1
SCHEMBL13701938 0.85 PTGS2 (0.50) PTGS2EPHX2NR3C2ALOX5TBXAS1
SCHEMBL4253851 0.83 MAPT (0.61) PTGS2EPHX2ALOX5TBXAS1SLC6A3
SCHEMBL4253186 0.81 PTGS2 (0.64) PTGS2EPHX2NR3C2PTGS1
SCHEMBL14507703 0.80 PTGS2 (0.49) PTGS2EPHX2NR3C2ALOX5TBXAS1
SCHEMBL4253189 0.79 PTGS2 (0.67) PTGS2PTGS1CYP2C9
SCHEMBL4251818 0.78 PTGS2 (0.69) PTGS2EPHX2NR3C2PTGS1HDAC3
SCHEMBL4253807 0.77 EPHX2 (0.71) PTGS2EPHX2NR3C2PTGS1MAPT

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 PTGS2 158/4885EPHX2 2/4885NR3C2 2044/4885

“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.