SCHEMBL714370

SCHEMBL714370

CC(C)(C)c1csc(Nc2ccc(S(=O)(=O)Nc3nccs3)c(OC(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SCN9A Q15858 8/20 0.43
SCN3A Q9NY46 2/20 0.43
SCN1A P35498 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CCR4 P51679 2/20 0.43
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL712060 0.85 SCN9A (0.48) MEN1KMT2APKMALDH1A1SCN9A
SCHEMBL711141 0.84 MAPT (0.50) MEN1KMT2APKMALDH1A1SCN1A
SCHEMBL13963154 0.84 KMT2A (0.47) MEN1KMT2APKMALDH1A1CCR4
SCHEMBL713219 0.82 MEN1 (0.46) MEN1KMT2APKMALDH1A1SCN9A
SCHEMBL712620 0.81 KMT2A (0.57) MEN1KMT2APKMALDH1A1CCR4
SCHEMBL714609 0.78 CCR4 (0.47) MEN1KMT2APKMALDH1A1CCR4
SCHEMBL712204 0.77 ALPL (0.59) MEN1KMT2APKMALDH1A1SCN9A
SCHEMBL3642138 0.77 KMT2A (0.52) MEN1KMT2APKMALDH1A1SCN1A
SCHEMBL709771 0.75 SCN9A (0.52) ALDH1A1SCN9ASCN3ASCN1AKCNH2
SCHEMBL711424 0.75 SCN3A (0.56) MEN1KMT2APKMALDH1A1SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 US disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A MEN1 4426/4885KMT2A 1945/4885PKM 2666/4885

“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.