SCHEMBL12988024

SCHEMBL12988024

CS(=O)(=O)NC1CCOCC1COc1ccc(-c2ccc(Cl)cn2)cc1F.CS(=O)(=O)N[C@H]1CCOC[C@@H]1COc1ccc(-c2ccc(Cl)cn2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.38
SMO Q99835 2/20 0.38
SCN9A Q15858 9/20 0.36
KDM1A O60341 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
MAPK1 P28482 1/20 0.34
SGK1 O00141 1/20 0.34
SCN5A Q14524 2/20 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
SCHEMBL12987351 1.00 GRIA2 (0.38) GRIA2SMOSCN9AKDM1AFFAR4
SCHEMBL15420449 1.00 GRIA2 (0.38) GRIA2SMOSCN9AKDM1AFFAR4
SCHEMBL12988368 1.00 GRIA2 (0.38) GRIA2SMOSCN9AKDM1AFFAR4
SCHEMBL15420690 1.00 GRIA2 (0.38) GRIA2SMOSCN9AKDM1AFFAR4
SCHEMBL15419845 0.92 GRIA2 (0.38) GRIA2SMOSCN9AFFAR4SCN5A
SCHEMBL15420766 0.92 GRIA2 (0.38) GRIA2SMOSCN9AFFAR4SCN5A
SCHEMBL12987144 0.92 GRIA2 (0.38) GRIA2SMOSCN9AFFAR4SCN5A
SCHEMBL12987034 0.92 GRIA2 (0.38) GRIA2SMOSCN9AFFAR4SCN5A
SCHEMBL12986813 0.91 GRIA2 (0.42) GRIA2SMOSCN9AKDM1AFFAR4
SCHEMBL15420397 0.91 GRIA2 (0.42) GRIA2SMOSCN9AKDM1AFFAR4

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
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP 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