SCHEMBL9923645

SCHEMBL9923645

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OXTR P30559 2/20 0.31
LMNA P02545 1/20 0.31
KAT6A Q92794 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BMP1 P13497 1/20 0.30

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
SCHEMBL18352341 0.93 SCN9A (0.36) SCN9AMEN1KMT2APKMSMN1; SMN2
SCHEMBL29835251 0.91 SCN9A (0.42) SCN9AMEN1KMT2ALMNAKDM4E
SCHEMBL1094096 0.91 SCN9A (0.42) SCN9AMEN1KMT2ALMNAKDM4E
SCHEMBL9924609 0.89 SCN9A (0.41) SCN9AMEN1KMT2ASMN1; SMN2OXTR
SCHEMBL16154981 0.85 SCN9A (0.37) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL19627736 0.84 SCN9A (0.36) SCN9ABMP1
SCHEMBL19627741 0.84 SCN9A (0.38) SCN9A
SCHEMBL22089152 0.84 SCN9A (0.40) SCN9AMEN1KMT2ALMNAKDM4E
SCHEMBL22035056 0.84 SCN9A (0.40) SCN9AMEN1KMT2AOXTRLMNA
SCHEMBL21865565 0.84 SCN9A (0.40) SCN9AJAK2JAK1TYK2JAK3

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
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-9481677-B2 Biaryl ether sulfonamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-01 US disclosed
US-9365578-B2 2016-06-14 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2014-09-11 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 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-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPV3, TRPV2 SCN9A 40/4885JAK2 2239/4885JAK1 4801/4885
US-20170002008-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, CACNA1E, CACNA1B SCN9A 9/4885JAK2 2967/4885JAK1 3964/4885

“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.