SCHEMBL29447385

SCHEMBL29447385

COc1ccc(CN(c2cscn2)S(=O)(=O)c2cc(Br)c(N[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
SCN8A Q9UQD0 3/20 0.38
GPR119 Q8TDV5 2/20 0.38
MMP13 P45452 1/20 0.38
STS P08842 2/20 0.38
BMP1 P13497 1/20 0.38
SLC2A1 P11166 1/20 0.37
SCN1A P35498 2/20 0.37
PIK3CA P42336 1/20 0.36
USP30 Q70CQ3 1/20 0.36
DYRK1A Q13627 1/20 0.36
EPHX2 P34913 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL19634263 1.00 ALDH1A1 (0.40) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL19627672 0.95 SCN8A (0.36) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL19627654 0.93 SCN1A (0.44) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL29447393 0.92 SCN8A (0.44) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL19627652 0.92 SCN8A (0.44) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL19614139 0.92 SCN8A (0.40) MMP1MMP9MMP3SCN8AMMP13
SCHEMBL19614141 0.92 SCN8A (0.40) MMP1MMP9MMP3SCN8AMMP13
SCHEMBL30845610 0.87 ALDH1A1 (0.42) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL21789465 0.87 ALDH1A1 (0.42) ALDH1A1MMP1MMP9MMP3MMP7
SCHEMBL28556812 0.87 ALDH1A1 (0.42) ALDH1A1MMP1MMP9MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2022-04-12 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 (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-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B ALDH1A1 2797/4885MMP1 3707/4885MMP9 2419/4885

“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.