SCHEMBL8002269

SCHEMBL8002269

CN1C(=O)SC(C)(C)[C@@H]1[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.46
MMP9 P14780 17/20 0.44
MMP13 P45452 5/20 0.44
MMP14 P50281 5/20 0.44
MMP1 P03956 8/20 0.44
MMP3 P08254 4/20 0.43
MMP8 P22894 4/20 0.43
MMP7 P09237 2/20 0.42

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
SCHEMBL8001199 1.00 MMP2 (0.46) MMP2MMP9MMP13MMP14MMP1
SCHEMBL8002270 0.80 MMP9 (0.62) MMP2MMP9MMP13MMP1MMP3
SCHEMBL8001198 0.80 MMP9 (0.62) MMP2MMP9MMP13MMP1MMP3
SCHEMBL7583731 0.79 MMP9 (0.45) MMP2MMP9MMP13MMP14MMP1
SCHEMBL8000592 0.75 MMP9 (0.52) MMP2MMP9MMP13MMP14MMP1
SCHEMBL8005101 0.74 MMP9 (0.47) MMP2MMP9MMP13MMP14MMP1
SCHEMBL7598899 0.74 MMP9 (0.66) MMP2MMP9MMP13MMP14MMP1
SCHEMBL7990004 0.74 EPHX2 (0.48) MMP2MMP9MMP13MMP14MMP1
SCHEMBL7999031 0.74 MMP9 (0.66) MMP2MMP9MMP13MMP14MMP1
SCHEMBL7535752 0.73 MMP9 (0.43) MMP2MMP9MMP13MMP14MMP1

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 1 patent. 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 disclosed