SCHEMBL2715364

SCHEMBL2715364

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
ACACB O00763 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
AAK1 Q2M2I8 3/20 0.30
TBK1 Q9UHD2 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL2715369 1.00 EPHX2 (0.38) EPHX2CYP17A1CYP2C9CYP2C19HRH4
SCHEMBL28399799 1.00 EPHX2 (0.38) EPHX2CYP17A1CYP2C9CYP2C19HRH4
SCHEMBL2715368 1.00 EPHX2 (0.38) EPHX2CYP17A1CYP2C9CYP2C19HRH4
SCHEMBL28394392 0.82 NUDT1 (0.35) CYP17A1CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL2718807 0.82 NUDT1 (0.35) CYP17A1CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL2716937 0.82 NUDT1 (0.35) CYP17A1CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL2718803 0.82 NUDT1 (0.35) CYP17A1CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL2717684 0.81 L3MBTL1 (0.40) EPHX2CYP17A1CYP2C9CYP2C19
SCHEMBL2717681 0.81 L3MBTL1 (0.40) EPHX2CYP17A1CYP2C9CYP2C19
SCHEMBL2714397 0.81 L3MBTL1 (0.40) EPHX2CYP17A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 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 (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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A EPHX2 2460/4885CYP17A1 4002/4885CYP2C9 2477/4885

“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.