SCHEMBL7998645

SCHEMBL7998645

O=C(O)NC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.66
MMP2 P08253 17/20 0.66
MMP1 P03956 9/20 0.66
MMP3 P08254 2/20 0.44
MMP8 P22894 2/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 2/20 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
SCHEMBL8005439 0.88 MMP9 (0.50) MMP9MMP2MMP1MMP14
SCHEMBL7990107 0.86 MMP9 (0.59) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7990313 0.80 MMP9 (0.52) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7998643 0.79 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7599171 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7429125 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7594722 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7594377 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7593771 0.78 MMP9 (0.66) MMP9MMP2MMP1MMP3MMP8
SCHEMBL7594938 0.77 MMP9 (0.67) MMP9MMP2MMP1MMP3MMP8

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