SCHEMBL4679435

SCHEMBL4679435

CC(C=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.60
PSMB1 P20618 1/20 0.57
PSMB5 P28074 1/20 0.57
PSMB2 P49721 1/20 0.57
CTSL P07711 6/20 0.57
CTSS P25774 4/20 0.57
CTSB P07858 4/20 0.57

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
SCHEMBL6687724 0.88 CTSK (0.77) CTSKCTSLCTSSCTSB
SCHEMBL25282894 0.88 CTSK (0.77) CTSKCTSLCTSSCTSB
SCHEMBL7163191 0.85 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL11124419 0.81 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL11124415 0.81 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL4222581 0.81 TACR1 (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6194102 0.81 CTSL (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6197585 0.81 CTSL (0.51) CTSKCTSLCTSSCTSB
SCHEMBL28546805 0.79 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL11101515 0.79 CTSL (0.63) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP claimed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO claimed
EP-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP disclosed
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP disclosed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO disclosed