SCHEMBL7072113

SCHEMBL7072113

COc1ccc(CNS(=O)(=O)c2ccccc2C(=O)NO)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.63
MMP13 P45452 4/20 0.63
MMP9 P14780 3/20 0.63
MMP8 P22894 3/20 0.63
MMP12 P39900 3/20 0.63
MMP14 P50281 3/20 0.63
MMP16 P51512 3/20 0.63
MMP3 P08254 2/20 0.59
MMP1 P03956 1/20 0.59
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
NSD2 O96028 2/20 0.55
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.52
CNR1 P21554 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7073805 0.87 CA9 (0.58) CA12CA9NSD2ALDH1A1HTT
SCHEMBL7072077 0.87 CA12 (0.74) CA12CA9NSD2ALDH1A1HTT
SCHEMBL977535 0.85 CA12 (0.75) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7076489 0.81 MMP12 (0.68) MMP2MMP13MMP9MMP8MMP12
SCHEMBL7076508 0.81 HTT (0.52) MMP2MMP13MMP9MMP8MMP12
SCHEMBL5898987 0.81 MMP2 (0.76) MMP2MMP13MMP9MMP8MMP12
SCHEMBL6483736 0.78 NSD2 (0.76) NSD2ALDH1A1HTTTSHRCNR1
SCHEMBL7072853 0.78 MMP2 (0.63) MMP2MMP13MMP9MMP8MMP12
SCHEMBL22076300 0.77 CYP3A4 (0.62) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL975460 0.76 CA9 (0.73) CA12CA9ALDH1A1KDM4EKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed