SCHEMBL7516075

SCHEMBL7516075

COc1ccc(S(=O)(=O)N2CC(C)(C)C(=O)N(C(C)C)C2C(=O)NO)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 19/20 0.68
MMP3 P08254 19/20 0.68
MMP9 P14780 14/20 0.68
MMP7 P09237 13/20 0.68
MMP12 P39900 1/20 0.68
MMP2 P08253 11/20 0.55
MMP8 P22894 6/20 0.55
MMP13 P45452 8/20 0.54

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
SCHEMBL7132462 0.88 MMP1 (0.71) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7080356 0.87 MMP1 (0.73) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7080532 0.81 MMP3 (1.00) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7078092 0.80 MMP1 (0.62) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7082082 0.78 MMP1 (0.60) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7509736 0.76 MMP1 (1.00) MMP1MMP3MMP9MMP7MMP12
SCHEMBL10118093 0.75 MMP3 (0.85) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7077683 0.74 MMP1 (1.00) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7081687 0.74 MMP1 (0.71) MMP1MMP3MMP9MMP7MMP12
SCHEMBL7081790 0.73 MMP3 (1.00) MMP1MMP3MMP9MMP7MMP12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927168-B1 1,3-DIHETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-11-06 EP disclosed
US-6469000-B1 TREATING ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION AND GUM DISEASE THE PROCTER & GAMBLE CO. 2002-10-22 US disclosed
US-6465474-B1 TREATMENT OF SUCH AS OSTEOARTHITIS, RHEUMATOID ARTHRITIS, PREVENTION OR ARREST OF TUMOR GROWTH AND METASTASIS, CORNEAL ULCERATION, LACK OF CORNEAL HEALING, MACULAR DEGENERATION, PERIODONTAL DISEASE, GINGIVITIS THE PROCTER & GAMBLE COMPANY 2002-10-15 US disclosed
US-6150370-A 1,3-DINITROCYCLIC COMPOUND TREATS NUMEROUS DISEASES CAUSED BY UNDESIRED METALLOPROTEASE ACTIVITY, SUCH AS TUMOR METASTASIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SKIN INFLAMMATION, ULCERATIONS, AND PERIODONTITIS THE PROCTER & GAMBLE COMPANY (US) 2000-11-21 US disclosed