SCHEMBL4770025

SCHEMBL4770025

Cc1c(C(=O)NC(CC(C)C)C(=O)N[C@H]2CCCN(S(=O)(=O)c3cccc[n+]3[O-])CC2=O)oc2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.51
CTSL P07711 13/20 0.51
CTSS P25774 11/20 0.51
CTSB P07858 6/20 0.51
CTSV O60911 2/20 0.51
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4770612 0.95 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763068 0.92 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14345775 0.92 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6843794 0.89 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6601173 0.88 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770083 0.88 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763047 0.86 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792835 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686496 0.81 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099174 0.81 CTSK (0.57) 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