SCHEMBL7998740

SCHEMBL7998740

CC(C)Cc1ccc([C@H](C)[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.68
MMP2 P08253 18/20 0.68
MMP1 P03956 7/20 0.60

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
SCHEMBL7998746 1.00 MMP9 (0.68) MMP9MMP2MMP1
SCHEMBL7998654 0.89 MMP9 (0.74) MMP9MMP2MMP1
SCHEMBL7998660 0.89 MMP9 (0.74) MMP9MMP2MMP1
SCHEMBL7673637 0.81 MMP9 (1.00) MMP9MMP2MMP1
SCHEMBL10021363 0.80 MMP9 (0.74) MMP9MMP2MMP1
SCHEMBL7998743 0.79 MMP2 (0.49) MMP9MMP2MMP1
SCHEMBL7673543 0.79 MMP2 (0.90) MMP9MMP2MMP1
SCHEMBL7673111 0.78 MMP9 (1.00) MMP9MMP2MMP1
SCHEMBL8001929 0.76 MMP9 (0.71) MMP9MMP2MMP1
SCHEMBL7673831 0.75 MMP2 (0.83) MMP9MMP2MMP1

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