SCHEMBL23630587

SCHEMBL23630587

CCCCCc1ccc(S(=O)(=O)N2CC2C(=O)N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.55
MMP3 P08254 7/20 0.55
MMP7 P09237 6/20 0.55
MMP13 P45452 6/20 0.55
CA2 P00918 3/20 0.46
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
FKBP1A P62942 2/20 0.43
MMP9 P14780 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL23630316 0.99 MMP1 (0.54) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630361 0.96 MMP1 (0.51) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630312 0.84 MMP1 (0.56) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630345 0.83 MMP1 (0.58) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630432 0.82 MMP1 (0.53) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630326 0.82 MMP1 (0.59) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630341 0.82 MMP1 (0.57) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630336 0.79 MMP1 (0.53) MMP1MMP3MMP7MMP13CA2
SCHEMBL23630483 0.79 KMT2A (0.50) SMN1; SMN2LMNAALDH1A1
SCHEMBL20540954 0.75 ALDH1A1 (0.56) MMP1MMP3MMP7MMP13FKBP1A

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-4087651-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A1, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2022-11-16 EP 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