SCHEMBL7323850

SCHEMBL7323850

CCCCCCCCCCCCc1cc(C)c(NCS(=O)(=O)c2ccc(OC)cc2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.46
PLK3 Q9H4B4 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KAT8 Q9H7Z6 2/20 0.42
POLB P06746 1/20 0.42
RARB P10826 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP9 P14780 3/20 0.41
MMP13 P45452 3/20 0.41
ADAM17 P78536 2/20 0.41
MMP1 P03956 2/20 0.41
GABRG2 P18507 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
SCHEMBL7322130 0.90 MMP13 (0.47) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL7323687 0.85 FFAR4 (0.53) POLBHTTNPSR1ALDH1A1CYP1A2
SCHEMBL7322103 0.83 MMP1 (0.44) POLBHTTALDH1A1MMP9MMP13
SCHEMBL7322743 0.83 ALDH1A1 (0.39) POLBALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL7323855 0.81 MMP13 (0.53) PLK1PLK3PPARGPPARAKAT8
SCHEMBL7576696 0.80 BCHE (0.43) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL7324074 0.80 HTT (0.48) PPARGPPARAHTTNPSR1ALDH1A1
SCHEMBL7825679 0.79 MMP13 (0.44) MMP9MMP13ADAM17MMP1
SCHEMBL7825682 0.78 MMP1 (0.43) ALDH1A1MAPTMMP9MMP13ADAM17
SCHEMBL6815806 0.78 MMP13 (0.55) PLK1MMP9MMP13ADAM17MMP1

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