SCHEMBL7321900

SCHEMBL7321900

COc1ccc(S(=O)(=O)Nc2c(C#N)cc(C)cc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55
POLB P06746 1/20 0.53
METAP2 P50579 1/20 0.52
CYTH2 Q99418 1/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
GFER P55789 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL7320095 0.81 FFAR4 (0.56) FFAR4GABRG2GABRB3GABRA3POLB
SCHEMBL7313983 0.78 POLB (0.45) FFAR4POLBCYTH2MAPTMEN1
SCHEMBL7322109 0.77 METAP2 (0.73) FFAR4POLBMETAP2ALDH1A1KEAP1
SCHEMBL7447739 0.75 FFAR4 (0.60) FFAR4GABRG2GABRB3GABRA3POLB
SCHEMBL7316092 0.74 CYP2C9 (0.68) FFAR4GABRG2GABRB3GABRA3POLB
SCHEMBL7308859 0.74 FFAR4 (0.74) FFAR4GABRG2GABRB3GABRA3METAP2
SCHEMBL7322031 0.73 FFAR4 (0.74) FFAR4GABRG2GABRB3GABRA3POLB
SCHEMBL19357604 0.72 FFAR4 (1.00) FFAR4GABRG2GABRB3GABRA3CYTH2
SCHEMBL7319432 0.72 FFAR4 (0.59) FFAR4GABRG2GABRB3GABRA3POLB
SCHEMBL3514568 0.72 CYP2C9 (0.74) METAP2GFERKEAP1NFE2L2CYP2C9

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