SCHEMBL23630366

SCHEMBL23630366

CCCCc1ccc(S(=O)(=O)N2CC2C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MMP1 P03956 3/20 0.45
MMP3 P08254 3/20 0.45
MMP7 P09237 3/20 0.45
MMP13 P45452 3/20 0.45
HSD11B1 P28845 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FKBP1A P62942 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL23630489 0.82 CA2 (0.47) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630333 0.79 MCOLN3 (0.50) CA2LMNACA1HTT
SCHEMBL23630432 0.78 MMP1 (0.53) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630361 0.75 MMP1 (0.51) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630336 0.75 MMP1 (0.53) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630312 0.72 MMP1 (0.56) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630587 0.71 MMP1 (0.55) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630345 0.71 MMP1 (0.58) CA2MMP1MMP3MMP7MMP13
SCHEMBL10791903 0.70 CA2 (0.71) CA2SMN1; SMN2LMNAFFAR1FFAR4
SCHEMBL23630341 0.70 MMP1 (0.57) CA2MMP1MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4087650-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
EP-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP disclosed
WO-2021141506-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 WO disclosed
WO-2021141507-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE Uniwersytet Jagielloński (PL) 2021-07-15 WO disclosed