SCHEMBL12987644

SCHEMBL12987644

Cc1cc(-c2ccc(OC[C@H]3COCC[C@@H]3NS(=O)(=O)C3CC3)c(F)c2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
RET P07949 1/20 0.34
S1PR1 P21453 1/20 0.34
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
CTPS1 P17812 3/20 0.32
GRM2 Q14416 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 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
SCHEMBL15420277 0.93 SCN9A (0.35) SCN9AIKBKETBK1RETS1PR1
SCHEMBL15420350 0.91 SCN9A (0.38) SCN9AIKBKETBK1RETS1PR1
SCHEMBL15420922 0.91 SCN9A (0.37) SCN9AIKBKETBK1RETS1PR1
SCHEMBL12988122 0.87 XDH (0.37) IKBKETBK1BRD4BRD2BRD3
SCHEMBL15441645 0.87 XDH (0.37) IKBKETBK1BRD4BRD2BRD3
SCHEMBL15420140 0.85 SCN9A (0.34) SCN9AS1PR1FFAR4GRIN1GRIN2B
SCHEMBL15420144 0.85 SCN9A (0.34) SCN9AS1PR1FFAR4GRIN1GRIN2B
SCHEMBL12987327 0.84 SCN9A (0.36) SCN9AIKBKETBK1RETS1PR1
SCHEMBL15420174 0.84 GRIA2 (0.39) SCN9APIK3R1PIK3CAFFAR4P2RX4
SCHEMBL12987095 0.84 GRIA2 (0.39) SCN9APIK3R1PIK3CAFFAR4P2RX4

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 10 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
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP 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
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 SCN9A 648/4885IKBKE 1665/4885TBK1 1036/4885

“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.