SCHEMBL13784261

SCHEMBL13784261

CC(C)C[C@H](NC(=O)c1cc2sccc2s1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.55
CTSL P07711 17/20 0.55
CTSS P25774 16/20 0.55
CTSV O60911 2/20 0.55
CTSB P07858 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
SCHEMBL13784225 0.95 CTSK (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6841583 0.88 CTSK (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6836936 0.88 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6841396 0.83 CTSK (0.81) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4322027 0.81 CTSK (0.52) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842302 0.81 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6836893 0.80 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842285 0.80 CTSK (0.51) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784223 0.78 CTSK (0.80) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784224 0.77 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed