Sugi Predict

Sugi Predict / Compounds / SCHEMBL4249697

SCHEMBL4249697

SCHEMBL4249697

CCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)nc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.50
▸ ALOX5 P09917 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGS1 P23219 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ RAF1 P04049 3/20 0.39
▸ BRAF P15056 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4252844 0.88 EPHX2 (0.53) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701987 0.87 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701894 0.85 EPHX2 (0.50) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253007 0.82 EPHX2 (0.47) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253820 0.82 EPHX2 (0.77) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701986 0.80 EPHX2 (0.49) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252688 0.77 BRAF (0.48) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702013 0.76 EPHX2 (0.76) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4254021 0.75 EPHX2 (0.71) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4254018 0.75 EPHX2 (0.73) 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.