SCHEMBL4769990

SCHEMBL4769990

COc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N([C@H]3CCCNCC3=O)S(=O)(=O)c3ccc(Cl)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.50
TAS1R1 Q7RTX1 14/20 0.50
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL4765650 1.00 TAS1R3 (0.50) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4761901 0.93 TAS1R3 (0.48) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4761899 0.93 TAS1R3 (0.48) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL6590279 0.92 TAS1R3 (0.39) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL6590283 0.92 TAS1R3 (0.39) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4770836 0.91 TAS1R3 (0.51) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4770834 0.91 TAS1R3 (0.51) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL6591709 0.90 CTSK (0.46) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL6591711 0.90 CTSK (0.46) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL4762072 0.88 TAS1R3 (0.49) TAS1R3TAS1R1CTSLCTSSCTSK

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-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed