SCHEMBL5033703

SCHEMBL5033703

CN1C(=O)N(C[C@@H](NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)OC(C)(C)C)C(=O)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.44
MMP9 P14780 6/20 0.44
MMP1 P03956 3/20 0.44
ADAMTS5 Q9UNA0 1/20 0.41
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
MMP7 P09237 1/20 0.40
STS P08842 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL5033708 1.00 MMP2 (0.44) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL1380534 0.86 MMP2 (0.54) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL1380533 0.86 MMP2 (0.54) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL1379922 0.85 MMP2 (0.46) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL1379920 0.85 MMP2 (0.46) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL7423437 0.83 MMP2 (0.41) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL1376076 0.80 MMP2 (0.53) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL4892574 0.79 MMP2 (0.52) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL4892559 0.79 MMP2 (0.52) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5034648 0.78 MMP2 (0.52) MMP2MMP9MMP1ADAMTS5MMP3

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