SCHEMBL8000893

SCHEMBL8000893

CS(=O)(=O)N1CCN(CC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)C(=O)NO)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.59
MMP2 P08253 12/20 0.59
MMP1 P03956 10/20 0.59
MMP14 P50281 6/20 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
SCHEMBL7990287 0.91 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8000455 0.89 MMP1 (0.48) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7998783 0.83 MMP9 (0.54) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8002263 0.82 MMP9 (0.55) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7999161 0.82 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8000592 0.81 MMP9 (0.52) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8002749 0.80 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8002066 0.79 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL8000888 0.79 MMP2 (0.84) MMP9MMP2MMP1
SCHEMBL8000492 0.78 MMP9 (0.65) 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