SCHEMBL9018172

SCHEMBL9018172

COc1ccc(CCS(=O)(=O)NC(=O)c2ccc(OC(=O)OC(C)C)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NOX1 Q9Y5S8 1/20 0.42
P4HTM Q9NXG6 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
VNN1 O95497 1/20 0.39
HDAC1 Q13547 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACACB O00763 5/20 0.38
ACACA Q13085 4/20 0.38
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL9018493 0.93 MMP8 (0.49) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL9018094 0.89 CXCR1 (0.43) OPRM1OPRD1
SCHEMBL9018410 0.89 P4HTM (0.47) MMP8MMP12MMP13NOX1P4HTM
SCHEMBL9018064 0.87 MMP8 (0.46) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL9140188 0.86 P4HTM (0.50) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL9018330 0.84 P4HTM (0.60) MMP8MMP13KMT2AMEN1P4HTM
SCHEMBL9018043 0.83 GABRA5 (0.47) NOX1P4HTMOPRM1OPRD1HDAC1
SCHEMBL8870184 0.83 KMT2A (0.46) MMP8MMP12MMP13KMT2AMEN1
SCHEMBL9018037 0.83 KMT2A (0.53) KMT2AMEN1P4HTMOPRM1NPC1
SCHEMBL9018418 0.83 CXCR2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed