SCHEMBL4246326

SCHEMBL4246326

CCOc1cc(C(F)(F)F)n(-c2ccc(F)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
EPHX2 P34913 2/20 0.34
ALOX5 P09917 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
STIM1 Q13586 3/20 0.33
ORAI1 Q96D31 3/20 0.33
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
CCR1 P32246 1/20 0.33
MAPK1 P28482 1/20 0.32
OXTR P30559 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TRPC3 Q13507 2/20 0.31
HPGD P15428 1/20 0.31
TRPC1 P48995 1/20 0.31

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
SCHEMBL4252779 0.86 PKM (0.36) PKMEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL4253821 0.81 KMT2A (0.43) PKMEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL3390256 0.81 PKM (0.46) PKMPTGS1HPGD
SCHEMBL3390287 0.81 EPHX2 (0.40) PKMEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL3391740 0.80 PKM (0.42) PKMEPHX2STIM1ORAI1PTGS2
SCHEMBL29864222 0.79 PKM (0.42) PKMEPHX2PTGS2PTGS1TRPC3
SCHEMBL13702075 0.73 NPC1 (0.38) PKMEPHX2PTGS2PTGS1MAPK1
SCHEMBL4252844 0.72 EPHX2 (0.53) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701894 0.70 EPHX2 (0.50) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL25200602 0.68 STIM1 (0.58) ALOX5SLC6A3STIM1ORAI1PTGS2

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 PKM 2063/4885EPHX2 2/4885ALOX5 60/4885

“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.