SCHEMBL8000592

SCHEMBL8000592

CS(=O)(=O)N1CCC(C(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)C(=O)NO)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.52
MMP2 P08253 12/20 0.52
MMP1 P03956 9/20 0.52
EPHX2 P34913 2/20 0.48
MMP14 P50281 5/20 0.46
MMP13 P45452 4/20 0.46
MMP8 P22894 3/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 1/20 0.45

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
SCHEMBL7990004 0.87 EPHX2 (0.48) MMP9MMP2MMP1EPHX2MMP14
SCHEMBL7999031 0.84 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7598899 0.84 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8000893 0.81 MMP9 (0.59) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7990287 0.80 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8000588 0.79 MMP9 (0.72) MMP9MMP2MMP1MMP13MMP8
SCHEMBL7583731 0.78 MMP9 (0.45) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7435170 0.77 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7598896 0.77 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7998783 0.77 MMP9 (0.54) MMP9MMP2MMP1MMP14MMP13

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