SCHEMBL8000449

SCHEMBL8000449

O=CN(O)C(CN1CCCCC1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 0.71
MMP9 P14780 19/20 0.71
MMP1 P03956 10/20 0.71

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
SCHEMBL7670713 0.90 MMP2 (0.83) MMP2MMP9MMP1
SCHEMBL8002060 0.90 MMP2 (0.83) MMP2MMP9MMP1
SCHEMBL8000888 0.89 MMP2 (0.84) MMP2MMP9MMP1
SCHEMBL7999164 0.88 MMP2 (0.82) MMP2MMP9MMP1
SCHEMBL7989891 0.87 MMP2 (0.65) MMP2MMP9MMP1
SCHEMBL7998781 0.87 MMP2 (0.84) MMP2MMP9MMP1
SCHEMBL7671031 0.83 MMP2 (1.00) MMP2MMP9MMP1
SCHEMBL8002262 0.82 MMP2 (0.85) MMP2MMP9MMP1
SCHEMBL7673693 0.81 MMP2 (0.83) MMP2MMP9MMP1
SCHEMBL7670647 0.81 MMP2 (0.83) MMP2MMP9MMP1

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