SCHEMBL16757102

SCHEMBL16757102

COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc(C#N)c(F)cc2F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 7/20 0.35
SCN5A Q14524 3/20 0.34
SCN1A P35498 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ALOX12 P18054 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 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
SCHEMBL18352768 0.92 SLC22A12 (0.34) SLC22A12SCN9ASCN5ASCN1ASCN8A
SCHEMBL29669070 0.90 MEN1 (0.40) MEN1KMT2APOLBALDH1A1SCN9A
SCHEMBL15466024 0.90 MEN1 (0.40) MEN1KMT2APOLBALDH1A1SCN9A
SCHEMBL322898 0.89 SLC22A12 (0.42) MEN1KMT2ASLC22A12SCN9AALOX12
SCHEMBL16757254 0.87 MEN1 (0.38) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL16094553 0.86 MEN1 (0.38) MEN1KMT2APOLBSCN9ASCN5A
SCHEMBL16757041 0.86 MEN1 (0.38) MEN1KMT2APOLBSCN9ASCN1A
SCHEMBL25090182 0.85 SCN9A (0.41) MEN1KMT2APOLBSCN9ASCN1A
SCHEMBL20653719 0.85 MAPK1 (0.37) MEN1KMT2APOLBSMN1; SMN2SCN9A
SCHEMBL20063731 0.85 GAA (0.42) MEN1KMT2APOLBALDH1A1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074402-B1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-9586968-B2 Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-01-05 US disclosed
EP-3074402-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2016-10-05 EP disclosed
WO-2015077905-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO disclosed
WO-2015077905-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO disclosed
WO-2015080988-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 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-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, CACNA1E, CACNA1B MEN1 1999/4885KMT2A 2664/4885SLC22A12 2053/4885

“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.