SCHEMBL2714730

SCHEMBL2714730

CC(N[S@+]([O-])C(C)(C)C)c1cc(OCC(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.38
CYP17A1 P05093 3/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.34
CACNA1I Q9P0X4 3/20 0.34
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
CNR2 P34972 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.34
CYP1A2 P05177 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3A P49840 1/20 0.32
PRKG2 Q13237 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL2713443 1.00 CYP2C9 (0.38) CYP2C9CYP17A1CYP2C19KDM4ECACNA1I
SCHEMBL2714728 1.00 CYP2C9 (0.38) CYP2C9CYP17A1CYP2C19KDM4ECACNA1I
SCHEMBL28392932 1.00 CYP2C9 (0.38) CYP2C9CYP17A1CYP2C19KDM4ECACNA1I
SCHEMBL1063142 0.82 CACNA1I (0.51) CYP2C9CYP17A1CYP2C19KDM4ECACNA1I
SCHEMBL18534945 0.82 ADRB2 (0.48) ALDH1A1ADRB2MAPT
SCHEMBL14751140 0.82 ADRB2 (0.48) ALDH1A1ADRB2MAPT
SCHEMBL2713469 0.80 DUT (0.42) CYP2C9CYP17A1CYP2C19KDM4EALDH1A1
SCHEMBL21272715 0.80 DUT (0.42) CYP2C9CYP17A1CYP2C19KDM4EALDH1A1
SCHEMBL21272714 0.80 DUT (0.42) CYP2C9CYP17A1CYP2C19KDM4EALDH1A1
SCHEMBL2713473 0.80 DUT (0.42) CYP2C9CYP17A1CYP2C19KDM4EALDH1A1

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 6 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-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 CYP2C9 2477/4885CYP17A1 4002/4885CYP2C19 3733/4885

“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.