SCHEMBL23630489

SCHEMBL23630489

CCCCc1ccc(S(=O)(=O)N2CC2CC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
MMP7 P09237 3/20 0.43
MMP13 P45452 3/20 0.43
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FKBP1A P62942 1/20 0.38
AKT1 P31749 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL23630366 0.82 CA2 (0.50) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630442 0.80 MCOLN3 (0.47) CA2LMNA
SCHEMBL23630432 0.75 MMP1 (0.53) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630336 0.72 MMP1 (0.53) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL23630361 0.72 MMP1 (0.51) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL2600496 0.71 ALDH1A1 (0.46) LMNA
SCHEMBL23630312 0.69 MMP1 (0.56) CA2SMN1; SMN2MMP1MMP3MMP7
SCHEMBL8472978 0.69 ALDH1A1 (0.44) MMP1MMP3MMP7MMP13LMNA
SCHEMBL28466754 0.69 ALDH1A1 (0.44) MMP1MMP3MMP7MMP13LMNA
SCHEMBL6081707 0.69 ALDH1A1 (0.44) MMP1MMP3MMP7MMP13LMNA

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