SCHEMBL8002502

SCHEMBL8002502

O=C(O)NC(CC1CCS(=O)(=O)CC1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.46
MMP2 P08253 19/20 0.46
MMP14 P50281 1/20 0.46
MMP1 P03956 6/20 0.43

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
SCHEMBL7990107 0.84 MMP9 (0.59) MMP9MMP2MMP14MMP1
SCHEMBL8002505 0.79 MMP2 (0.67) MMP9MMP2MMP1
SCHEMBL8005439 0.78 MMP9 (0.50) MMP9MMP2MMP14MMP1
SCHEMBL8001932 0.73 MMP2 (0.52) MMP9MMP2MMP14MMP1
SCHEMBL7990265 0.73 MMP2 (0.50) MMP9MMP2MMP14MMP1
SCHEMBL8000426 0.73 MMP2 (0.44) MMP9MMP2MMP14MMP1
SCHEMBL7989893 0.72 MMP2 (0.46) MMP9MMP2MMP14MMP1
SCHEMBL8002839 0.72 MMP9 (0.53) MMP9MMP2MMP14MMP1
SCHEMBL8002497 0.71 MMP2 (0.67) MMP9MMP2MMP1
SCHEMBL7593368 0.70 MMP9 (0.48) MMP9MMP2MMP14MMP1

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