SCHEMBL7400910

SCHEMBL7400910

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.69
CTSK P43235 5/20 0.69
CTSL P07711 4/20 0.69
MMP1 P03956 11/20 0.61
MMP2 P08253 11/20 0.61
MMP3 P08254 8/20 0.61
CTSB P07858 3/20 0.60
REN P00797 1/20 0.58
MMP9 P14780 6/20 0.57
MMP8 P22894 5/20 0.57
MMP7 P09237 4/20 0.57
FCER2 P06734 1/20 0.57
ADAM17 P78536 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53

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
SCHEMBL7406653 0.88 MMP1 (0.64) CTSSCTSKCTSLMMP1MMP2
SCHEMBL7403457 0.87 MMP1 (0.63) CTSSCTSKCTSLMMP1MMP2
SCHEMBL8604283 0.85 CTSS (0.53) CTSSCTSKCTSLMMP1MMP2
SCHEMBL7431430 0.84 CTSS (0.64) CTSSCTSKCTSLMMP2CTSB
SCHEMBL7314680 0.84 CTSS (0.64) CTSSCTSKCTSLMMP2CTSB
SCHEMBL7406420 0.84 MMP1 (0.59) CTSSCTSKCTSLMMP1MMP2
SCHEMBL7407115 0.82 MMP2 (0.57) MMP1MMP2MMP3MMP9MMP8
SCHEMBL7887273 0.81 MMP1 (0.51) CTSSCTSKCTSLMMP1MMP2
SCHEMBL7396094 0.81 MMP1 (0.55) CTSSCTSKCTSLMMP1MMP2
SCHEMBL7367573 0.81 MMP1 (0.67) MMP1MMP2MMP3MMP9MMP8

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
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed
EP-0824543-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed