SCHEMBL9923641

SCHEMBL9923641

COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.42
SLC22A12 Q96S37 5/20 0.39
SCN5A Q14524 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL31093304 0.91 SCN9A (0.45) SCN9ASLC22A12
SCHEMBL319158 0.91 SCN9A (0.45) SCN9ASLC22A12
SCHEMBL19627592 0.87 SCN9A (0.43) SCN9A
SCHEMBL18352242 0.86 SLC22A12 (0.39) SCN9ASLC22A12SCN5A
SCHEMBL16185267 0.85 SLC22A12 (0.41) SCN9ASLC22A12AVPR2OXTRAVPR1A
SCHEMBL9923651 0.84 SCN9A (0.44) SCN9ASLC22A12
SCHEMBL16020177 0.84 SCN9A (0.43) SCN9A
SCHEMBL16185266 0.83 SLC22A12 (0.46) SLC22A12
SCHEMBL16185279 0.83 SLC22A12 (0.41) SCN9ASLC22A12AVPR2OXTRAVPR1A
SCHEMBL16185262 0.83 SLC22A12 (0.39) SCN9ASLC22A12SCN5AAVPR2OXTR

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
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
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US 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 (2 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 SCN9A 9/4885SLC22A12 2053/4885SCN5A 34/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 SCN9A 73/4885SLC22A12 999/4885SCN5A 19/4885

“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.