SCHEMBL7313719

SCHEMBL7313719

COc1ccc(S(=O)(=O)N(Cc2ccsc2)c2c(CN3CCN(C)CC3)cccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 18/20 0.59
MMP13 P45452 17/20 0.59
MMP1 P03956 16/20 0.59
ADAM17 P78536 10/20 0.59
HTR6 P50406 1/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27511016 0.95 MMP9 (0.53) MMP9MMP13MMP1ADAM17MEN1
SCHEMBL7316636 0.91 MMP9 (0.73) MMP9MMP13MMP1ADAM17
SCHEMBL7316221 0.84 MMP1 (0.81) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL7447117 0.83 MMP9 (0.77) MMP9MMP13MMP1ADAM17
SCHEMBL7316352 0.79 MMP9 (0.59) MMP9MMP13MMP1ADAM17
SCHEMBL7323227 0.76 MMP1 (0.82) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL28744402 0.76 MMP1 (0.68) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL7817619 0.75 MMP1 (0.61) MMP9MMP13MMP1ADAM17HTR6
SCHEMBL27533470 0.74 MMP9 (0.63) MMP9MMP13MMP1ADAM17LMNA
SCHEMBL6852400 0.74 MMP9 (1.00) MMP9MMP13MMP1ADAM17

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