SCHEMBL4994648

SCHEMBL4994648

CC(C[CH]C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.61
CTSK P43235 4/20 0.61
CTSS P25774 3/20 0.61
CTSH P09668 2/20 0.61
CTSC P53634 2/20 0.61
CTSL P07711 8/20 0.54

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
SCHEMBL7359030 0.81 CTSL (0.59) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7856906 0.81 CTSB (0.78) CTSBCTSKCTSSCTSHCTSC
SCHEMBL4994654 0.77 CTSB (0.79) CTSBCTSKCTSSCTSHCTSC
SCHEMBL4447641 0.77 CTSB (0.52) CTSBCTSKCTSSCTSHCTSC
SCHEMBL9889135 0.76 CTSB (0.82) CTSBCTSKCTSSCTSHCTSC
SCHEMBL7359034 0.76 CTSB (0.82) CTSBCTSKCTSSCTSHCTSC
SCHEMBL8127874 0.74 CTSB (0.62) CTSBCTSKCTSSCTSHCTSC
SCHEMBL6802823 0.74 CTSC (0.56) CTSSCTSC
SCHEMBL9891652 0.74 CTSL (0.73) CTSBCTSKCTSSCTSHCTSC
SCHEMBL5417093 0.72 CTSB (0.64) CTSBCTSKCTSSCTSHCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed