SCHEMBL7072853

SCHEMBL7072853

COc1ccc(CNS(=O)(=O)c2ccccc2CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.63
MMP8 P22894 6/20 0.63
MMP12 P39900 6/20 0.63
MMP13 P45452 6/20 0.63
MMP14 P50281 6/20 0.63
MMP16 P51512 6/20 0.63
MMP9 P14780 5/20 0.59
MMP1 P03956 4/20 0.59
MMP3 P08254 4/20 0.59
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.57
TSHR P16473 1/20 0.55
NSD2 O96028 2/20 0.55
ADAM17 P78536 1/20 0.53
CNR1 P21554 1/20 0.50
NPC1 O15118 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50

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
SCHEMBL7076489 0.89 MMP12 (0.68) MMP2MMP8MMP12MMP13MMP14
SCHEMBL7072077 0.82 CA12 (0.74) ALDH1A1HTTTSHRNSD2CNR1
SCHEMBL7073805 0.80 CA9 (0.58) ALDH1A1HTTTSHRNSD2CNR1
SCHEMBL6608558 0.79 TSHR (0.76) ALDH1A1HTTTSHREGFRERBB2
SCHEMBL6483736 0.78 NSD2 (0.76) ALDH1A1HTTTSHRNSD2CNR1
SCHEMBL7072113 0.78 MMP2 (0.63) MMP2MMP8MMP12MMP13MMP14
SCHEMBL3659182 0.77 ALDH1A1 (0.88) ALDH1A1HTTTSHREGFRERBB2
SCHEMBL6393931 0.77 MMP2 (0.61) MMP2MMP8MMP12MMP13MMP14
SCHEMBL8359828 0.75 NSD2 (0.58) ALDH1A1HTTTSHRNSD2CNR1
SCHEMBL29162296 0.75 NSD2 (0.73) ALDH1A1HTTNSD2CNR1

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 8 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
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