Sugi Predict

Sugi Predict / Compounds / SCHEMBL4252779

SCHEMBL4252779

SCHEMBL4252779

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.36
▸ PTGS2 P35354 4/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ EPHX2 P34913 2/20 0.33
▸ OXTR P30559 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL4246326 0.86 PKM (0.36) PKMPTGS2PTGS1EPHX2OXTR
SCHEMBL4253821 0.82 KMT2A (0.43) PKMPTGS2PTGS1EPHX2ALOX5
SCHEMBL3390256 0.80 PKM (0.46) PKMPTGS1NPC1
SCHEMBL3390287 0.80 EPHX2 (0.40) PKMEPHX2ALOX5TBXAS1SLC6A3
SCHEMBL3391740 0.79 PKM (0.42) PKMPTGS2PTGS1EPHX2KDM4E
SCHEMBL7326656 0.78 KDM4E (0.52) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL29864222 0.78 PKM (0.42) PKMPTGS2PTGS1EPHX2TRPC3
SCHEMBL13702075 0.77 NPC1 (0.38) PKMPTGS2PTGS1EPHX2MEN1
SCHEMBL4252844 0.71 EPHX2 (0.53) PTGS1EPHX2ALOX5TBXAS1SLC6A3
SCHEMBL4247381 0.69 EPHX2 (0.62) PTGS2EPHX2ALOX5TBXAS1SLC6A3

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 2063/4885PTGS2 158/4885PTGS1 81/4885

“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.