SCHEMBL7316622

SCHEMBL7316622

CCN(CC)CC#CCN(c1c(C)cccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.82
MMP1 P03956 15/20 0.82
MMP9 P14780 15/20 0.82
ADAM17 P78536 10/20 0.82
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP12 P39900 1/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL7320844 0.90 MMP13 (1.00) MMP13MMP1MMP9ADAM17MMP12
SCHEMBL7453407 0.86 MMP13 (0.61) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7311624 0.78 CYP2C9 (0.60) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7322084 0.75 MMP13 (0.82) MMP13MMP1MMP9ADAM17MMP12
SCHEMBL7322269 0.75 MMP9 (0.83) MMP13MMP1MMP9ADAM17
SCHEMBL7317691 0.75 MMP13 (0.61) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7311421 0.74 MMP1 (0.81) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7322296 0.73 MMP13 (0.83) MMP13MMP1MMP9ADAM17MMP12
SCHEMBL7315173 0.73 MMP9 (0.62) MMP13MMP1MMP9ADAM17KDM4E
SCHEMBL7313705 0.71 MMP13 (0.74) MMP13MMP1MMP9ADAM17

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-0938471-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2001-12-12 EP disclosed
EP-0938471-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 1999-09-01 EP disclosed
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed
WO-1998016503-A2 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed