SCHEMBL7430701

SCHEMBL7430701

CC(C)C(NS(=O)(=O)c1ccc2c3c(oc2c1)CCC3)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 19/20 0.65
MMP13 P45452 13/20 0.65
MMP2 P08253 1/20 0.57
MMP3 P08254 1/20 0.57
MMP9 P14780 1/20 0.57
MMP14 P50281 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL6579319 1.00 MMP12 (0.65) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6579575 1.00 MMP12 (0.65) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6582450 0.98 MMP12 (0.65) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6577228 0.98 MMP12 (0.65) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6577328 0.97 MMP12 (0.64) MMP12MMP13MMP2MMP3MMP9
SCHEMBL7558734 0.97 MMP12 (0.64) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6579548 0.97 MMP12 (0.64) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6577251 0.89 MMP13 (0.52) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6579753 0.89 MMP13 (0.52) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6579654 0.87 MMP13 (0.52) MMP12MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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