SCHEMBL5033744

SCHEMBL5033744

Cn1c(=O)n(CCCC[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)OC(C)(C)C)c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.46
MMP9 P14780 7/20 0.46
TNF P01375 1/20 0.43
HDAC1 Q13547 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 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
SCHEMBL5033746 1.00 MMP2 (0.46) MMP2MMP9TNFHDAC1ADAMTS5
SCHEMBL1380422 0.88 MMP2 (0.54) MMP2MMP9ADAMTS5MMP13
SCHEMBL1380421 0.88 MMP2 (0.54) MMP2MMP9ADAMTS5MMP13
SCHEMBL1378261 0.87 BMP1 (0.48) MMP2MMP9HDAC1ADAMTS5MMP1
SCHEMBL1378262 0.87 BMP1 (0.48) MMP2MMP9HDAC1ADAMTS5MMP1
SCHEMBL1377157 0.86 MMP2 (0.52) MMP2MMP9ADAMTS5MMP13
SCHEMBL1379841 0.84 BMP1 (0.49) MMP2MMP9TNFADAMTS5MMP1
SCHEMBL5037000 0.83 TNF (0.42) MMP2MMP9TNFHDAC1KDM4E
SCHEMBL1380883 0.82 MMP2 (0.54) MMP2MMP9ADAMTS5MMP13
SCHEMBL1380247 0.81 MMP9 (0.54) MMP2MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed