SCHEMBL8002489

SCHEMBL8002489

O=C(NO)C(CCN1CCSCC1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 17/20 0.51
MMP2 P08253 13/20 0.51
MMP1 P03956 10/20 0.50
MMP14 P50281 8/20 0.47
MMP8 P22894 4/20 0.47
MMP3 P08254 3/20 0.47
MMP7 P09237 2/20 0.47
MMP13 P45452 4/20 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
SCHEMBL8002066 0.91 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002263 0.90 MMP9 (0.55) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8000492 0.89 MMP9 (0.65) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7990287 0.87 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8000455 0.81 MMP1 (0.48) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002344 0.80 MMP2 (0.51) MMP9MMP2MMP1MMP8MMP3
SCHEMBL7998783 0.79 MMP9 (0.54) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002485 0.79 MMP2 (0.80) MMP9MMP2MMP1
SCHEMBL8002035 0.78 MMP9 (0.68) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7999161 0.78 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP8

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