SCHEMBL4040137

SCHEMBL4040137

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.40
CTSS P25774 14/20 0.40
CTSL P07711 11/20 0.38
CTSB P07858 10/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35
LARS1 Q9P2J5 1/20 0.35

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
SCHEMBL4039968 0.94 CTSK (0.41) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4040095 0.92 CTSK (0.42) CTSKCTSSCTSLCTSB
SCHEMBL4042709 0.91 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL4041250 0.89 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL4044324 0.87 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL4040066 0.84 CTSK (0.39) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4042265 0.84 CTSK (0.49) CTSKCTSSCTSLCTSB
SCHEMBL4043172 0.83 CTSK (0.41) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4040924 0.83 CTSK (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6212824 0.83 CTSK (0.39) CTSKCTSSCTSLCTSB

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed