SCHEMBL5155308

SCHEMBL5155308

CC(C)N(C(=O)C(Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.54
CTSK P43235 11/20 0.54
CTSB P07858 4/20 0.53
CTSL P07711 2/20 0.53
PTPN1 P18031 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
P2RX7 Q99572 1/20 0.44
ACE P12821 1/20 0.43
BCL2 P10415 1/20 0.43

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
SCHEMBL5151231 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5150943 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL23742817 0.88 CTSS (0.56) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6952987 0.86 CTSS (0.54) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL5155420 0.85 CTSS (0.53) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18920548 0.85 CTSS (0.53) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL1350140 0.84 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL1350138 0.84 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3450109 0.84 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL31524193 0.84 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed