SCHEMBL22089152

SCHEMBL22089152

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(F)cc2Br)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BMP1 P13497 1/20 0.34
TP53 P04637 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29835279 0.94 SCN9A (0.40) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL20449461 0.94 SCN9A (0.40) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL29835251 0.92 SCN9A (0.42) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL1094096 0.92 SCN9A (0.42) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL18983147 0.91 SCN9A (0.40) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL28912753 0.90 SCN9A (0.39) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL22034926 0.88 SCN9A (0.39) SCN9AHDAC8KDM4EPOLBALDH1A1
SCHEMBL16011224 0.88 SCN9A (0.43) SCN9AKDM4EPOLBALDH1A1TSHR
SCHEMBL29736575 0.88 SCN9A (0.45) SCN9AKDM4EPOLBALDH1A1TSHR
SCHEMBL30479339 0.88 SCN9A (0.43) SCN9AKDM4EPOLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2022-01-06 US disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 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-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A SCN9A 14/4885HDAC8 1364/4885KDM4E 1498/4885

“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.