SCHEMBL7366561

SCHEMBL7366561

COc1ccc(S(=O)(=O)CC(C(=O)O)C2(C)NC(=O)N(C)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP1 P03956 5/20 0.41
MMP13 P45452 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PTGS2 P35354 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7361327 0.88 MMP1 (0.43) MMP1MMP13MMP2MMP9
SCHEMBL6382556 0.79 HTT (0.43) HTTNPSR1MMP1MMP13KMT2A
SCHEMBL6378307 0.71 HTT (0.59) HTTNPSR1MMP1MMP13KMT2A
Hydrochloric Acid SCHEMBL7207769 0.70 HTT (0.55) HTTNPSR1MMP1MMP13KMT2A
SCHEMBL8521710 0.70 HTT (0.58) HTTNPSR1MMP1MMP13KMT2A
SCHEMBL6378086 0.70 BMP1 (0.45) MMP1MMP13MMP2MMP9
SCHEMBL7075250 0.69 MMP13 (0.59) HTTNPSR1MMP1MMP13KMT2A
SCHEMBL6626569 0.69 HTT (0.56) HTTNPSR1MMP1MMP13KMT2A
SCHEMBL6382945 0.67 BMP1 (0.45) MMP1MMP13KMT2AMEN1MMP2
SCHEMBL7077694 0.66 MMP13 (0.63) HTTNPSR1MMP1MMP13KMT2A

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-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP disclosed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO disclosed