SCHEMBL5034689

SCHEMBL5034689

CN1C(=O)N(C(CCC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.36
MMP9 P14780 9/20 0.36
MMP1 P03956 3/20 0.36
ADAMTS5 Q9UNA0 3/20 0.34
BCL2 P10415 1/20 0.32
MMP3 P08254 3/20 0.31
MMP13 P45452 3/20 0.31
MMP8 P22894 2/20 0.31
MMP14 P50281 2/20 0.31
MMP16 P51512 2/20 0.31
ADAM17 P78536 1/20 0.31
STS P08842 1/20 0.30
MCL1 Q07820 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
SCHEMBL5034688 0.79 MMP2 (0.41) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033278 0.78 ADAMTS5 (0.42) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033295 0.77 ADAMTS5 (0.43) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033274 0.68 ADAMTS5 (0.44) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033708 0.67 MMP2 (0.44) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033703 0.67 MMP2 (0.44) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL5033291 0.67 ADAMTS5 (0.43) MMP2MMP9MMP1ADAMTS5MMP3
SCHEMBL7078773 0.63
SCHEMBL5033284 0.62 CYP2D6 (0.31)
SCHEMBL4891268 0.61 ADAMTS5 (0.38) 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 2 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