SCHEMBL2714766

SCHEMBL2714766

CCC(N[S@+]([O-])C(C)(C)C)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.34
MGAT2 Q10469 3/20 0.33
IDH1 O75874 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT1 O75907 1/20 0.31
HPGDS O60760 1/20 0.31
KCNK3 O14649 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
SCHEMBL28399788 1.00 EPHX2 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL2713470 1.00 EPHX2 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL2714764 1.00 EPHX2 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL2717681 0.85 L3MBTL1 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL28013084 0.85 L3MBTL1 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL2714397 0.85 L3MBTL1 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL2717684 0.85 L3MBTL1 (0.40) EPHX2CYP2C19CYP2C9CYP2J2L3MBTL1
SCHEMBL15166339 0.78 P2RX3 (0.32)
SCHEMBL2750275 0.78 KCNK3 (0.33) MEN1KMT2AKCNK3
SCHEMBL19841868 0.78 P2RX3 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP 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-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO 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 (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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A EPHX2 3835/4885CYP2C19 4356/4885CYP2C9 4102/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A EPHX2 2460/4885CYP2C19 3733/4885CYP2C9 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.