SCHEMBL7435170

SCHEMBL7435170

O=C(NO)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.64
MMP2 P08253 16/20 0.64
MMP1 P03956 11/20 0.64
MMP14 P50281 3/20 0.46
MMP3 P08254 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 2/20 0.44
MMP7 P09237 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
SCHEMBL7598896 1.00 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP3
SCHEMBL8005101 0.84 MMP9 (0.47) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7535752 0.79 MMP9 (0.43) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7598893 0.78 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7435168 0.78 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7598899 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7999031 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP3
SCHEMBL8000592 0.77 MMP9 (0.52) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7583731 0.77 MMP9 (0.45) MMP9MMP2MMP1MMP14MMP3
SCHEMBL8005687 0.77 MMP9 (0.50) MMP9MMP2MMP1MMP14MMP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP 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 claimed
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP disclosed
EP-1147101-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2001-10-24 EP disclosed
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
WO-2000044739-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed