SCHEMBL4049501

SCHEMBL4049501

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccccn3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.40
CTSL P07711 16/20 0.40
CTSS P25774 12/20 0.40
CTSB P07858 5/20 0.40
CTSV O60911 2/20 0.40
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL4038978 0.91 USP30 (0.34) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051635 0.91 HPGD (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041991 0.90 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042533 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048699 0.90 CTSK (0.40) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043432 0.89 KCNQ1 (0.38) HPGDTRPM8
SCHEMBL4043865 0.88 CTSK (0.36) CTSKCTSLCTSSCTSBHPGD
SCHEMBL4043593 0.87 USP2 (0.33) CTSKTRPM8
SCHEMBL4044402 0.87 GAA (0.36) TRPM8
SCHEMBL4045350 0.86 CHRNB2 (0.34) CTSKHPGDTRPM8

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 1 patent. 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