SCHEMBL20259348

SCHEMBL20259348

CC(C)(C)[S+]([O-])/N=C(/c1ccccc1F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
TSHR P16473 4/20 0.35
HTT P42858 3/20 0.35
TP53 P04637 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL20252709 1.00 GPR3 (0.37) GPR3TSHRHTTTP53CES2
SCHEMBL20238416 1.00 GPR3 (0.37) GPR3TSHRHTTTP53CES2
SCHEMBL20238415 1.00 GPR3 (0.37) GPR3TSHRHTTTP53CES2
SCHEMBL17007007 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL568601 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL17007011 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL18097129 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL15704698 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL17007008 0.81 SMN1; SMN2 (0.41) GPR3TSHRHTTTP53CES2
SCHEMBL20238447 0.81 LMNA (0.32) GPR3TSHRTP53ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2021-06-10 US disclosed
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 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 (3 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-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D GPR3 782/4885TSHR 3130/4885HTT 307/4885
US-20210171537-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B GPR3 428/4885TSHR 3336/4885HTT 509/4885
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B GPR3 428/4885TSHR 3336/4885HTT 509/4885

“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.