SCHEMBL5033291

SCHEMBL5033291

CC(C)(C)OC(=O)[C@@H](CCI)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.43
RORC P51449 1/20 0.38
MMP2 P08253 5/20 0.38
MMP9 P14780 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL5033274 0.90 ADAMTS5 (0.44) ADAMTS5RORCMMP2MMP9CA12
SCHEMBL5034688 0.80 MMP2 (0.41) ADAMTS5RORCMMP2MMP9MMP1
SCHEMBL7424410 0.79 MMP2 (0.42) ADAMTS5RORCMMP2MMP9PSEN1
SCHEMBL5033295 0.78 ADAMTS5 (0.43) ADAMTS5RORCMMP2MMP9CA12
SCHEMBL5033278 0.77 ADAMTS5 (0.42) ADAMTS5RORCMMP2MMP9CA12
SCHEMBL4900721 0.74 ADAMTS5 (0.41) ADAMTS5RORCMMP2MMP9PSEN1
SCHEMBL4900709 0.74 ADAMTS5 (0.41) ADAMTS5RORCMMP2MMP9PSEN1
SCHEMBL9732208 0.69 CCKBR (0.38) CA12CA1CA2CA14MEN1
SCHEMBL7533987 0.69 MMP2 (0.42) ADAMTS5RORCMMP2MMP9PSEN1
SCHEMBL5031607 0.68 ADAMTS5 (0.39) ADAMTS5MMP2MMP9CA12CA1

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