SCHEMBL22089149

SCHEMBL22089149

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cnc(Cl)c(Br)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
TP53 P04637 2/20 0.39
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL31093262 0.91 SCN9A (0.43) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL22088317 0.91 SCN9A (0.43) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL22034822 0.87 GAA (0.44) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL20449150 0.86 SCN9A (0.46) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL28526642 0.83 SCN9A (0.48) SCN9ATP53ALDH1A1GAAMEN1
SCHEMBL20449355 0.82 SCN9A (0.51) SCN9ATP53ALDH1A1POLBCNR1
SCHEMBL23140806 0.82 TP53 (0.39) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL15011381 0.82 SCN9A (0.48) SCN9ATP53GAAMAPTCNR1
SCHEMBL20449457 0.82 SCN9A (0.44) SCN9ATP53ALDH1A1POLBGAA
SCHEMBL319485 0.81 SCN9A (0.45) SCN9ATP53ALDH1A1POLBMAPT

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 14/4885TP53 4880/4885ALDH1A1 892/4885

“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.