SCHEMBL7323911

SCHEMBL7323911

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP13 P45452 4/20 0.43
MMP9 P14780 2/20 0.43
ADAM17 P78536 2/20 0.43
POLB P06746 4/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GRK2 P25098 1/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7319417 0.89 MMP1 (0.50) MMP1NPSR1ALDH1A1MAPTCYP1A2
SCHEMBL7311185 0.84 HTT (0.47) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL7315675 0.84 BMP1 (0.41) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL7317816 0.83 POLB (0.41) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL7322617 0.82 MMP1 (0.41) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL6815491 0.79 MMP13 (0.53) MMP1MMP13MMP9ADAM17POLB
SCHEMBL7318156 0.79 MMP1 (0.59) MMP1CYP3A4CYP2C19MMP13MMP9
SCHEMBL7317773 0.79 FFAR4 (0.53) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL7323687 0.79 FFAR4 (0.53) MMP1HTTNPSR1ALDH1A1MAPT
SCHEMBL6815791 0.79 MMP13 (0.60) MMP1ALDH1A1MAPTCYP1A2CYP3A4

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