SCHEMBL6946802

SCHEMBL6946802

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)c2ccc(Cl)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.40
MMP9 P14780 5/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.35
MMP13 P45452 1/20 0.35
PLA2G7 Q13093 2/20 0.34
MDM2 Q00987 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6949235 0.90 MMP2 (0.43) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6943312 0.83 PLA2G7 (0.43) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6952641 0.82 MMP2 (0.44) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6952582 0.80 MMP2 (0.38) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6950782 0.79 MMP2 (0.39) MMP2MMP9MMP1MMP3MMP13
SCHEMBL7077657 0.78 PLA2G7 (0.46) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6948808 0.78 MMP3 (0.38) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6953868 0.76 MMP2 (0.32) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6948481 0.76 PLA2G7 (0.39) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6948787 0.76 PLA2G7 (0.53) MMP2MMP9MMP1MMP3MMP13

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
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed