SCHEMBL23630337

SCHEMBL23630337

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.56
MMP2 P08253 10/20 0.51
ANPEP P15144 2/20 0.51
MCOLN3 Q8TDD5 1/20 0.46
TP53 P04637 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL27748927 0.86 MMP13 (0.59) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL23630362 0.86 KMT2A (0.59) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL541907 0.84 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEPPOLB
SCHEMBL541908 0.84 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEPPOLB
SCHEMBL29948324 0.84 ALDH1A1 (0.76) ALDH1A1KMT2AMMP2ANPEPPOLB
SCHEMBL1734641 0.82 MMP2 (0.68) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL1734643 0.82 MMP2 (0.68) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL23630340 0.81 KMT2A (0.56) ALDH1A1KMT2AMMP2ANPEP
SCHEMBL23630346 0.81 MMP2 (0.59) ALDH1A1KMT2AMMP2ANPEPMMP1
SCHEMBL6432530 0.80 MMP2 (0.57) ALDH1A1KMT2AMMP2ANPEPMMP1

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