SCHEMBL6628528

SCHEMBL6628528

CCCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1cccs1)[C@@H](O)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
TP53 P04637 2/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
GBA1 P04062 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
BRD4 O60885 1/20 0.34
HSF1 Q00613 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
PPARD Q03181 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6687635 0.82 CTSK (0.46) CTSKCTSSCTSLPTPN2PTPN1
SCHEMBL6628517 0.82 CTSK (0.46) CTSKCTSSCTSLPTPN2PTPN1
SCHEMBL6632355 0.81 PTPN1 (0.40) CTSKPTPN2PTPN1SMN1; SMN2PPARG
SCHEMBL6628452 0.81 PTPN1 (0.40) CTSKPTPN2PTPN1SMN1; SMN2PPARG
SCHEMBL6630261 0.79 ACACB (0.38) PTPN2PTPN1
SCHEMBL6628447 0.73 MAPT (0.42) CTSKPTPN2PTPN1SMN1; SMN2PPARG
SCHEMBL6061710 0.73 MAPT (0.42) CTSKPTPN2PTPN1SMN1; SMN2PPARG
SCHEMBL6687639 0.73 CTSK (0.38) CTSKTP53CTSSCTSLPTPN2
SCHEMBL6630253 0.72 ACACB (0.36) CTSKCTSSPTPN2PTPN1PPARG
SCHEMBL6063420 0.71 ACACB (0.38) PTPN2PTPN1LMNAMAPT

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-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
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