SCHEMBL15420922

SCHEMBL15420922

CCS(=O)(=O)N[C@H]1CCOC[C@@H]1COc1ccc(-c2cc(C)on2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
S1PR1 P21453 2/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
PIK3CA P42336 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
PIK3R1 P27986 2/20 0.33
RET P07949 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD3 Q15059 2/20 0.32
NPY5R Q15761 1/20 0.31
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
SCHEMBL12987400 0.93 SCN9A (0.36) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL15420350 0.92 SCN9A (0.38) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL12987644 0.91 SCN9A (0.37) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL12986919 0.87 XDH (0.38) S1PR1
SCHEMBL15441644 0.87 XDH (0.38) S1PR1
SCHEMBL12987327 0.85 SCN9A (0.36) SCN9AS1PR1IKBKETBK1PIK3CA
SCHEMBL12987632 0.85 GRIA2 (0.41) SCN9APIK3CAFFAR4PIK3R1
SCHEMBL12988605 0.85 GRIA2 (0.41) SCN9APIK3CAFFAR4PIK3R1
SCHEMBL12988546 0.85 GRIA2 (0.41) SCN9APIK3CAFFAR4PIK3R1
SCHEMBL15420487 0.85 SCN9A (0.35) SCN9AS1PR1FFAR4GRIN1GRIN2B

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.