SCHEMBL6378307

SCHEMBL6378307

COc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(OC)cc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MMP13 P45452 6/20 0.58
MMP1 P03956 5/20 0.58
HSD11B1 P28845 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MMP8 P22894 2/20 0.49
LDHA P00338 1/20 0.49
PKM P14618 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL7077429 0.90 HTT (0.52) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL6377986 0.87 HTT (0.57) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7080740 0.87 MMP1 (0.55) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL8521710 0.85 HTT (0.58) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL6379261 0.84 MMP13 (0.48) HTTNPSR1MMP13MMP1MMP8
SCHEMBL6626569 0.84 HTT (0.56) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7075250 0.84 MMP13 (0.59) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7078861 0.84 HTT (0.50) HTTNPSR1MMP13MMP1HSD11B1
SCHEMBL7077710 0.83 MMP2 (0.70) HTTNPSR1MMP1MMP8ALDH1A1
SCHEMBL6378620 0.83 MMP1 (0.58) HTTNPSR1MMP13MMP1MEN1

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-0929519-B1 BETA-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2005-02-23 EP disclosed
US-6235928-B1 ENZYME INHIBITOR MATRIX METALLOPROTEINASE FAMILY, INCLUDING COLLAGENASE, STROMELYSIN, AND GELATINASE, THE COMPOUNDS OR PHARMACEUTICAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY 2001-05-22 US disclosed
EP-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP disclosed
US-5847153-A β-sulfonyl hydroxamic acids PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO disclosed