SCHEMBL5163025

SCHEMBL5163025

CCN(CC)CCOc1ccc(CN(c2c(C)cccc2C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.75
MMP9 P14780 17/20 0.75
MMP1 P03956 16/20 0.75
ADAM17 P78536 10/20 0.75
MMP12 P39900 1/20 0.57

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
SCHEMBL7973905 0.91 MMP13 (0.83) MMP13MMP9MMP1ADAM17
SCHEMBL7322084 0.91 MMP13 (0.82) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7443729 0.86 MMP13 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL7323902 0.86 MMP13 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL5160893 0.84 MMP13 (1.00) MMP13MMP9MMP1ADAM17
SCHEMBL7323522 0.83 MMP13 (0.66) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7325101 0.83 MMP13 (0.84) MMP13MMP9MMP1ADAM17
SCHEMBL7315295 0.82 MMP9 (0.78) MMP13MMP9MMP1ADAM17
SCHEMBL7320844 0.81 MMP13 (1.00) MMP13MMP9MMP1ADAM17MMP12
SCHEMBL7313705 0.80 MMP13 (0.74) MMP13MMP9MMP1ADAM17

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 12 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 claimed
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 claimed
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 claimed
EP-1777214-A2 Novel aryloxy-alkyl-dialkylamines Wyeth (US) 2007-04-25 EP disclosed
EP-1025077-B1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES WYETH CORP (US) 2007-02-28 EP disclosed
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
US-6242605-B1 Aryloxy-alkyl-dialkylamines AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US disclosed
EP-1025077-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-09 EP disclosed
US-6005102-A NOVEL INTERMEDIATES WHICH MAY BE USED IN THE PRODUCTION OF PHARMACEUTICAL COMPOUNDS FOR ANTI-ESTROGENIC AND MATRIX METALLOPROTEINASES-INHIBITING UTILITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-21 US 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
WO-1999019293-A1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-22 WO 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