SCHEMBL7998641

SCHEMBL7998641

CN1C(=O)N(C[C@@H](COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C(=O)C1(C)C

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.79
MMP1 P03956 10/20 0.79
MMP3 P08254 5/20 0.77
MMP9 P14780 4/20 0.77

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
SCHEMBL7576504 0.91 MMP2 (0.79) MMP2MMP1MMP3MMP9
SCHEMBL7505455 0.91 MMP2 (0.79) MMP2MMP1MMP3MMP9
SCHEMBL7444933 0.89 MMP2 (0.83) MMP2MMP1MMP3MMP9
SCHEMBL7501863 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7449070 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7501285 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7453594 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7504030 0.88 MMP2 (1.00) MMP2MMP1MMP3MMP9
SCHEMBL7500023 0.87 MMP2 (0.83) MMP2MMP1MMP3MMP9
SCHEMBL7501532 0.87 MMP2 (1.00) MMP2MMP1MMP3MMP9

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