SCHEMBL15420350

SCHEMBL15420350

Cc1cc(-c2ccc(OC[C@H]3COCC[C@@H]3NS(C)(=O)=O)c(F)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
S1PR1 P21453 1/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
PIK3CA P42336 4/20 0.34
PIK3R1 P27986 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RET P07949 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
MKNK2 Q9HBH9 1/20 0.32
P2RX3 P56373 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL12987327 0.93 SCN9A (0.36) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL15420922 0.92 SCN9A (0.37) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL12987644 0.91 SCN9A (0.37) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL15441299 0.86 XDH (0.38) IKBKETBK1
SCHEMBL12989238 0.86 XDH (0.38) IKBKETBK1
SCHEMBL12987400 0.85 SCN9A (0.36) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL12986813 0.85 GRIA2 (0.42) SCN9APIK3CAPIK3R1FFAR4MKNK2
SCHEMBL12986811 0.85 GRIA2 (0.42) SCN9APIK3CAPIK3R1FFAR4MKNK2
SCHEMBL12987995 0.85 GRIA2 (0.42) SCN9APIK3CAPIK3R1FFAR4MKNK2
SCHEMBL15420397 0.85 GRIA2 (0.42) SCN9APIK3CAPIK3R1FFAR4MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 SCN9A 648/4885S1PR1 1377/4885IKBKE 1665/4885

“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.