SCHEMBL16377162

SCHEMBL16377162

CCOC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.68
CTSF Q9UBX1 6/20 0.68
CTSL P07711 6/20 0.68
CTSK P43235 15/20 0.66
CTSS P25774 3/20 0.62
CTSV O60911 1/20 0.62

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
SCHEMBL8121829 0.91 CTSK (0.71) CTSBCTSFCTSLCTSKCTSS
SCHEMBL15827398 0.89 CTSB (0.68) CTSBCTSFCTSLCTSKCTSS
SCHEMBL16377305 0.89 CTSK (0.54) CTSBCTSFCTSLCTSKCTSS
SCHEMBL16377160 0.88 CTSK (0.67) CTSBCTSFCTSLCTSKCTSS
SCHEMBL12679261 0.87 CTSB (0.72) CTSBCTSFCTSLCTSKCTSS
SCHEMBL3265273 0.87 CTSB (0.75) CTSBCTSFCTSLCTSKCTSS
SCHEMBL2848882 0.87 CTSB (0.75) CTSBCTSFCTSLCTSKCTSS
SCHEMBL3757063 0.87 CTSB (0.75) CTSBCTSFCTSLCTSKCTSS
SCHEMBL2927805 0.87 CTSB (0.75) CTSBCTSFCTSLCTSKCTSS
SCHEMBL3757005 0.87 CTSB (0.54) CTSBCTSFCTSLCTSKCTSS

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
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO disclosed