SCHEMBL6789601

SCHEMBL6789601

O=C(NO)C(CSCc1ccccn1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP8 P22894 4/20 0.41
MMP1 P03956 3/20 0.41
MMP3 P08254 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR3 P49682 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 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
SCHEMBL6797128 0.89 MMP2 (0.42) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7454617 0.85 ALDH1A1 (0.46) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6790083 0.85 ALDH1A1 (0.46) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6783884 0.79 MEN1 (0.46) MMP2MMP9MMP3SMN1; SMN2NPC1
SCHEMBL6784051 0.78 MMP2 (0.52) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6783784 0.77 HSD11B1 (0.43) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7365162 0.74 MMP2 (0.51) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6783348 0.74 BCL2L1 (0.49) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7448510 0.73 ALDH1A1 (0.46) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6790233 0.73 MMP2 (0.45) MMP2MMP9MMP8MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP claimed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO claimed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed