SCHEMBL7317816

SCHEMBL7317816

COC(=O)c1cc(Br)cc(COC(C)=O)c1NCS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MMP1 P03956 6/20 0.39
MMP13 P45452 5/20 0.39
MMP9 P14780 4/20 0.39
ADAM17 P78536 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRK2 P25098 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
DNMT1 P26358 1/20 0.37
RECQL P46063 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 0.85 MMP1 (0.41) POLBGPR55MMP1MMP13MMP9
SCHEMBL7323911 0.83 MMP1 (0.43) POLBGPR55MMP1MMP13MMP9
SCHEMBL7319417 0.83 MMP1 (0.50) POLBGPR55MMP1MMP13MMP9
SCHEMBL7318156 0.80 MMP1 (0.59) MMP1MMP13MMP9ADAM17CYP3A4
SCHEMBL7317819 0.78 MMP9 (0.58) MMP1MMP13MMP9ADAM17CYP2C9
SCHEMBL7315675 0.77 BMP1 (0.41) POLBGPR55MMP1MMP13MMP9
SCHEMBL7311185 0.77 HTT (0.47) POLBGPR55MMP1MMP13MMP9
SCHEMBL7819708 0.75 MMP1 (0.51) POLBMMP1MMP13MMP9ADAM17
SCHEMBL7315168 0.75 LMNA (0.46) POLBMMP1MMP13MMP9ADAM17
SCHEMBL7317773 0.74 FFAR4 (0.53) POLBMMP1MMP13MMP9ADAM17

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