SCHEMBL7320095

SCHEMBL7320095

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.56
CYTH2 Q99418 1/20 0.56
POLB P06746 1/20 0.56
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55
METAP2 P50579 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
STAT3 P40763 1/20 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 3/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7447739 0.82 FFAR4 (0.60) FFAR4CYTH2POLBGABRG2GABRB3
SCHEMBL7321900 0.81 FFAR4 (0.55) FFAR4CYTH2POLBGABRG2GABRB3
SCHEMBL7323173 0.79 FFAR4 (0.56) FFAR4CYTH2POLBGABRG2GABRB3
SCHEMBL7322031 0.78 FFAR4 (0.74) FFAR4CYTH2POLBGABRG2GABRB3
SCHEMBL7310510 0.76 POLB (0.47) FFAR4CYTH2POLBGABRG2GABRB3
SCHEMBL7308859 0.74 FFAR4 (0.74) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL28680032 0.73 KMT2A (0.53) FFAR4CYTH2METAP2MEN1KMT2A
SCHEMBL7313990 0.73 MMP13 (0.64) ALDH1A1NPSR1
SCHEMBL19357604 0.72 FFAR4 (1.00) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL7320098 0.72 FFAR4 (0.60) FFAR4CYTH2POLBGABRG2GABRB3

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