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Sugi Predict / Compounds / SCHEMBL6687635

SCHEMBL6687635

SCHEMBL6687635

CCCCN(C(=O)[C@H](Cc1cccs1)NC(=O)OC(C)(C)C)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSL P07711 1/20 0.42
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL6628517 1.00 CTSK (0.46) CTSKCTSSCTSLPTPN2PTPN1
SCHEMBL6628528 0.82 CTSK (0.37) CTSKCTSSCTSLPTPN2PTPN1
SCHEMBL6061710 0.81 MAPT (0.42) CTSKPTPN2PTPN1
SCHEMBL6628447 0.81 MAPT (0.42) CTSKPTPN2PTPN1
SCHEMBL6630253 0.80 ACACB (0.36) CTSKCTSSPTPN2PTPN1
SCHEMBL6062971 0.80 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6062962 0.80 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6062966 0.80 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6628525 0.78 CTSK (0.55) CTSKCTSSPTPN1
SCHEMBL9438805 0.76 CTSK (0.60) CTSKCTSSCTSL

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
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