SCHEMBL8000462

SCHEMBL8000462

CC(CCCO)(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.52
MMP13 P45452 12/20 0.52
MMP1 P03956 10/20 0.52
MMP9 P14780 7/20 0.44
MMP14 P50281 4/20 0.44
MMP8 P22894 2/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL8000461 0.76 MMP9 (0.54) MMP2MMP13MMP1MMP9MMP8
SCHEMBL8002344 0.75 MMP2 (0.51) MMP2MMP13MMP1MMP9MMP8
SCHEMBL8005756 0.74 MMP2 (0.50) MMP2MMP13MMP1MMP9MMP14
SCHEMBL7365907 0.72 MMP2 (0.48) MMP2MMP13MMP1MMP9MMP14
SCHEMBL7539100 0.71 MMP2 (0.50) MMP2MMP13MMP1MMP9MMP14
SCHEMBL7998658 0.71 MMP2 (0.54) MMP2MMP13MMP1MMP9MMP14
SCHEMBL8002779 0.71 MMP2 (0.51) MMP2MMP13MMP1MMP9
SCHEMBL7998659 0.69 MMP2 (0.57) MMP2MMP13MMP1MMP9
SCHEMBL6769491 0.69 MMP13 (0.77) MMP2MMP13MMP1
SCHEMBL6767568 0.69 MMP13 (0.77) MMP2MMP13MMP1

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