SCHEMBL4768304

SCHEMBL4768304

Cc1c(C(=O)NC(CC(C)C)C(=O)N[C@H]2CCCN(S(=O)(=O)C3=NC=CCC3=O)CC2=O)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.55
CTSL P07711 18/20 0.55
CTSS P25774 14/20 0.55
CTSB P07858 6/20 0.55
CTSV O60911 2/20 0.55

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
SCHEMBL7486011 0.86 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7431056 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099173 0.86 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099174 0.86 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632963 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632960 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6632961 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105371 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765417 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105499 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed