SCHEMBL23630441

SCHEMBL23630441

CC(=O)C1CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.52
MMP2 P08253 7/20 0.51
ANPEP P15144 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL23630457 0.87 POLB (0.61) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL6097783 0.87 POLB (0.61) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL3832846 0.87 POLB (0.61) POLBALDH1A1KMT2ALMNAMMP2
Lithium Ion SCHEMBL23630310 0.85 POLB (0.52) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL3831709 0.85 POLB (0.56) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL3831713 0.85 POLB (0.52) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL23630483 0.83 KMT2A (0.50) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL541908 0.83 ALDH1A1 (0.76) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL541907 0.83 ALDH1A1 (0.76) POLBALDH1A1KMT2ALMNAMMP2
SCHEMBL29948324 0.83 ALDH1A1 (0.76) POLBALDH1A1KMT2ALMNAMMP2

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
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