SCHEMBL6063015

SCHEMBL6063015

CN(C1CCNCC1)[C@@H](CS(=O)(=O)Cc1ccccc1)C(=O)NCCCC[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 7/20 0.33
PTPN1 P18031 6/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
FASN P49327 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMYD3 Q9H7B4 4/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL6063021 1.00 PTPN2 (0.33) PTPN2PTPN1LMNAMAPTALDH1A1
SCHEMBL6628674 0.87 DAGLA (0.44) LMNAMAPTCTSLCTSBCTSS
SCHEMBL6629847 0.87 PTPN1 (0.38) PTPN2PTPN1ALDH1A1HDAC6FAAH
SCHEMBL6630474 0.83 CTSS (0.33) PTPN2PTPN1ALDH1A1CTSLCTSB
SCHEMBL6063008 0.83 CTSS (0.33) PTPN2PTPN1ALDH1A1CTSLCTSB
SCHEMBL6062609 0.83 EPOR (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6632980 0.81 ALDH1A1 (0.41) PTPN2PTPN1ALDH1A1HDAC6
SCHEMBL6630136 0.80 PPARA (0.33) PTPN2PTPN1HDAC6
SCHEMBL6632750 0.79 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1
SCHEMBL6632745 0.79 ALDH1A1 (0.39) PTPN2PTPN1ALDH1A1

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed