SCHEMBL7315675

SCHEMBL7315675

COc1ccc(S(=O)(=O)CNc2c(CC(C(=O)O)C(=O)O)cc(Br)cc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.41
MMP1 P03956 7/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 1/20 0.40
LDHA P00338 1/20 0.40
MMP13 P45452 6/20 0.39
MMP9 P14780 6/20 0.39
ADAM17 P78536 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
GRK2 P25098 1/20 0.39
MMP2 P08253 1/20 0.37

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
SCHEMBL7322617 0.86 MMP1 (0.41) BMP1MMP1MMP13MMP9ADAM17
SCHEMBL7311185 0.86 HTT (0.47) MMP1KEAP1NFE2L2MMP13MMP9
SCHEMBL7323911 0.84 MMP1 (0.43) MMP1MMP13MMP9ADAM17ALDH1A1
SCHEMBL7315684 0.78 MMP9 (0.57) BMP1MMP1KEAP1NFE2L2MMP13
SCHEMBL7317816 0.77 POLB (0.41) MMP1MMP13MMP9ADAM17ALDH1A1
SCHEMBL7819708 0.76 MMP1 (0.51) BMP1MMP1MMP13MMP9ADAM17
SCHEMBL7319417 0.75 MMP1 (0.50) MMP1MMP13MMP9ADAM17ALDH1A1
SCHEMBL6815491 0.75 MMP13 (0.53) MMP1MMP13MMP9ADAM17POLB
SCHEMBL7323687 0.75 FFAR4 (0.53) MMP1MMP13MMP9ADAM17ALDH1A1
SCHEMBL6815791 0.74 MMP13 (0.60) MMP1MMP13MMP9ADAM17ALDH1A1

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