SCHEMBL5033295

SCHEMBL5033295

CC(C)(C)OC(=O)CCC(I)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
MMP2 P08253 6/20 0.38
MMP9 P14780 3/20 0.38
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MMP1 P03956 2/20 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
SCHEMBL5033278 0.88 ADAMTS5 (0.42) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL5033291 0.78 ADAMTS5 (0.43) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL5033274 0.77 ADAMTS5 (0.44) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL5034689 0.77 MMP2 (0.36) ADAMTS5MMP2MMP9MMP1MMP3
SCHEMBL4891268 0.70 ADAMTS5 (0.38) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL4900709 0.70 ADAMTS5 (0.41) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL4900721 0.70 ADAMTS5 (0.41) ADAMTS5MMP2MMP9RORCMEN1
SCHEMBL7874061 0.69 ALDH1A1 (0.58) MEN1KMT2AMMP1
SCHEMBL9709587 0.68 PSEN1 (0.35) CA2CA12CA1CA14
SCHEMBL5034688 0.68 MMP2 (0.41) ADAMTS5MMP2MMP9RORCMMP1

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