SCHEMBL19627746

SCHEMBL19627746

COc1cc(C)ccc1CN(c1cccc(F)n1)S(=O)(=O)c1c(F)cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.36
EPHX2 P34913 2/20 0.36
BRD4 O60885 1/20 0.35
PIK3CA P42336 1/20 0.35
STS P08842 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
EHMT2 Q96KQ7 2/20 0.34
TGFBR1 P36897 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT7 O95251 1/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
USP30 Q70CQ3 2/20 0.33
NSD2 O96028 1/20 0.33
SCN9A Q15858 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
SCHEMBL19613857 0.94 STS (0.40) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL29447352 0.94 STS (0.40) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL19613858 0.94 STS (0.40) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL19627747 0.94 PIK3CA (0.37) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL19627766 0.89 EPHX2 (0.38) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL28519887 0.88 STS (0.41) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL19631904 0.88 STS (0.41) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL29447360 0.88 STS (0.41) DNMT3AEPHX2BRD4PIK3CASTS
SCHEMBL19614302 0.86 RORC (0.35)
SCHEMBL19614303 0.86 RORC (0.35)

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-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 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-20170334902-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B DNMT3A 4561/4885EPHX2 2484/4885BRD4 358/4885

“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.