SCHEMBL2729784

SCHEMBL2729784

O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 1.00
EPHX1 P07099 7/20 0.81
LIPE Q05469 1/20 0.74
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL2717510 0.90 EPHX2 (1.00) EPHX2EPHX1LIPECYP1A2CYP3A4
SCHEMBL4012068 0.88 EPHX2 (0.79) EPHX2EPHX1LIPESMN1; SMN2
SCHEMBL17316257 0.87 EPHX2 (0.83) EPHX2EPHX1
SCHEMBL3956807 0.86 EPHX1 (0.76) EPHX2EPHX1GAAMEN1KMT2A
SCHEMBL14997558 0.86 CYP3A4 (0.82) EPHX2EPHX1CYP1A2CYP3A4GAA
SCHEMBL12081991 0.85 LIPE (1.00) EPHX2EPHX1LIPEMEN1KMT2A
SCHEMBL1913735 0.85 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL3964613 0.85 MEN1 (0.79) EPHX2EPHX1CYP1A2CYP3A4GAA
SCHEMBL2730200 0.84 EPHX2 (1.00) EPHX2EPHX1
SCHEMBL16457781 0.83 LIPE (0.74) EPHX2EPHX1LIPEGAAMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528604-B1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2017-11-22 EP disclosed
EP-2528604-B1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2017-11-22 EP disclosed
US-20160200683-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2016-07-14 US disclosed
US-20160200683-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2016-07-14 US disclosed
US-9296693-B2 Acyl piperidine inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 US disclosed
US-9296693-B2 Acyl piperidine inhibitors of soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 US disclosed
US-20130143925-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143925-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
EP-2528604-A2 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE The Regents of The University of California (US) 2012-12-05 EP disclosed
WO-2012054093-A2 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-26 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 (2 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-20130143925-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, FAAH, FAAH2 EPHX2 4/4885EPHX1 1/4885LIPE 515/4885
US-20160200683-A1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, FAAH, FAAH2 EPHX2 4/4885EPHX1 1/4885LIPE 515/4885

“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.