SCHEMBL7430753

SCHEMBL7430753

CC(C)C(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCCC3)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.51
MMP12 P39900 8/20 0.51
MMP1 P03956 5/20 0.49
MMP2 P08253 5/20 0.49
MMP3 P08254 5/20 0.49
MMP7 P09237 5/20 0.49
MMP9 P14780 5/20 0.49

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
SCHEMBL6577479 1.00 MMP13 (0.51) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6577310 1.00 MMP13 (0.51) MMP13MMP12MMP1MMP2MMP3
SCHEMBL7486683 0.99 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6579654 0.99 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6579833 0.99 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6577251 0.97 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6579753 0.97 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL7558734 0.89 MMP12 (0.64) MMP13MMP12MMP2MMP3MMP9
SCHEMBL6577328 0.89 MMP12 (0.64) MMP13MMP12MMP2MMP3MMP9
SCHEMBL6579548 0.89 MMP12 (0.64) MMP13MMP12MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100792-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2001-05-23 EP claimed
WO-2000006561-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6420408-B1 MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, CARDIOVASCULAR DISORDERS, RESTENOSIS, PERIODONTAL DISEASE, AUTOIMMUNE OR INFLAMMATORY DISORDERS, ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, CEREBRAL AMYLOID ANGIOPATHY, WARNER-LAMBERT COMPANY 2002-07-16 US disclosed
EP-1100792-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2001-05-23 EP disclosed
WO-2000006561-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed