SCHEMBL8000236

SCHEMBL8000236

CC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)(NC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.60
MMP14 P50281 11/20 0.60
MMP1 P03956 8/20 0.60
MMP13 P45452 7/20 0.60
MMP2 P08253 7/20 0.60
MMP8 P22894 6/20 0.60
MMP3 P08254 5/20 0.60
ADAM17 P78536 2/20 0.48
MMP7 P09237 2/20 0.44
RORC P51449 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL8001764 0.82 MMP9 (0.46) MMP9MMP14MMP1MMP13MMP2
SCHEMBL8000234 0.79 MMP9 (0.55) MMP9MMP14MMP1MMP13MMP2
SCHEMBL6687124 0.75 MMP14 (1.00) MMP9MMP14MMP1MMP13MMP2
SCHEMBL8002839 0.73 MMP9 (0.53) MMP9MMP14MMP1MMP13MMP2
SCHEMBL7990360 0.72 MMP9 (0.60) MMP9MMP14MMP1MMP13MMP2
SCHEMBL8000272 0.71 MMP2 (0.65) MMP9MMP14MMP1MMP13MMP2
SCHEMBL27509205 0.70 MMP1 (0.66) MMP9MMP14MMP1MMP13MMP2
SCHEMBL8001945 0.70 MMP14 (0.60) MMP9MMP14MMP1MMP13MMP2
SCHEMBL18711920 0.69 MEN1 (0.55) MMP9MMP14MMP1MMP13MMP2
SCHEMBL7307938 0.69 MMP13 (0.70) MMP9MMP14MMP1MMP13MMP2

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