SCHEMBL2714534

SCHEMBL2714534

COc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cc(C)nc(NC(=O)C(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.42
SCN9A Q15858 1/20 0.40
RIPK1 Q13546 4/20 0.39
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2713831 0.92 EPHX2 (0.42) EPHX2SCN9ARIPK1HPGDSKDM4E
SCHEMBL2715348 0.90 EPHX2 (0.44) EPHX2SCN9ARIPK1KDM4EMEN1
SCHEMBL2714889 0.90 EPHX2 (0.44) EPHX2SCN9ARIPK1HPGDSKDM4E
SCHEMBL2719113 0.89 SCN9A (0.38) EPHX2SCN9ARIPK1KDM4EMEN1
SCHEMBL2716841 0.89 SCN9A (0.52) EPHX2SCN9ARIPK1KDM4EMEN1
SCHEMBL2715704 0.89 EPHX2 (0.43) EPHX2SCN9ARIPK1KDM4EMEN1
SCHEMBL2715358 0.85 EPHX2 (0.40) EPHX2SCN9ARIPK1HPGDSKDM4E
SCHEMBL2715619 0.84 EPHX2 (0.46) EPHX2RIPK1HPGDSKDM4EMEN1
SCHEMBL2716564 0.84 EPHX2 (0.46) EPHX2RIPK1HPGDSKDM4EMEN1
SCHEMBL2717414 0.83 SCN9A (0.39) EPHX2SCN9ARIPK1HPGDSSCN5A

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 12 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 claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
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-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
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 2460/4885SCN9A 31/4885RIPK1 4666/4885

“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.