SCHEMBL4761899

SCHEMBL4761899

COc1ccc2oc(C(=O)N[C@@H](CC(C)C)C(=O)N(C3CCCNCC3=O)S(=O)(=O)c3cccc(Cl)c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.48
TAS1R1 Q7RTX1 14/20 0.48
CTSK P43235 4/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
BCAT1 P54687 1/20 0.38
MAOB P27338 1/20 0.37
CTSB P07858 1/20 0.36

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
SCHEMBL4761901 1.00 TAS1R3 (0.48) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770836 0.95 TAS1R3 (0.51) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4770834 0.95 TAS1R3 (0.51) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4765650 0.93 TAS1R3 (0.50) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4769990 0.93 TAS1R3 (0.50) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL6590533 0.92 TAS1R3 (0.38) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL6590536 0.92 TAS1R3 (0.38) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4768959 0.91 CTSK (0.45) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4768953 0.91 CTSK (0.45) TAS1R3TAS1R1CTSKCTSLCTSS
SCHEMBL4762061 0.90 TAS1R3 (0.47) TAS1R3TAS1R1CTSKCTSLCTSS

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 6 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed