SCHEMBL2715488

SCHEMBL2715488

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.34
EPHX2 P34913 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2J2 P51589 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 3/20 0.31
MGAT2 Q10469 1/20 0.30
NR3C1 P04150 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
SCHEMBL28389590 1.00 IDH1 (0.34) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2714370 1.00 IDH1 (0.34) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2715490 1.00 IDH1 (0.34) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2717684 0.93 L3MBTL1 (0.40) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2714397 0.93 L3MBTL1 (0.40) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2717681 0.93 L3MBTL1 (0.40) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL28013084 0.93 L3MBTL1 (0.40) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2714573 0.90 CNR2 (0.33) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2714569 0.90 CNR2 (0.33) IDH1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL28389358 0.90 CNR2 (0.33) IDH1EPHX2CYP2C9CYP2C19CYP2J2

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
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 IDH1 1869/4885EPHX2 2460/4885CYP2C9 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.