SCHEMBL7998947

SCHEMBL7998947

N#CCc1cccc(-c2ccc(S(=O)(=O)CC3(N(O)C=O)CCOCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.47
MMP9 P14780 6/20 0.47
MMP1 P03956 1/20 0.47
ADAMTS4 O75173 13/20 0.42
ADAMTS5 Q9UNA0 11/20 0.42
MMP13 P45452 8/20 0.42
MMP14 P50281 4/20 0.42
MMP3 P08254 3/20 0.42
CTSC P53634 1/20 0.37
AOC2 O75106 1/20 0.35
MAOA P21397 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
SCHEMBL7991238 0.82 ADAMTS4 (0.44) MMP2MMP9MMP1ADAMTS4ADAMTS5
SCHEMBL7502951 0.78 ADAMTS4 (0.47) MMP2MMP9MMP1ADAMTS4ADAMTS5
SCHEMBL8000011 0.72 MMP1 (0.44) MMP2MMP9MMP1MMP13MMP14
SCHEMBL8000265 0.67 MMP9 (0.55) MMP2MMP9MMP1MMP13MMP14
SCHEMBL4009763 0.66 MMP3 (0.82) MMP3
SCHEMBL4001097 0.66 MMP3 (0.82) MMP3
SCHEMBL7506796 0.65 MMP2 (0.80) MMP2MMP9MMP1MMP3
SCHEMBL8002023 0.65 MMP2 (1.00) MMP2MMP9MMP1MMP3
SCHEMBL30504282 0.64 MMP3 (0.79) MMP3
SCHEMBL4667163 0.62 MMP3 (1.00) MMP3

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
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed