SCHEMBL6407609

SCHEMBL6407609

C=C(C#N)C(=O)[C@H](CCCC)N(C(=O)O)[C@@H](Cc1nnc(-c2ccccc2)o1)C(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.46
CTSV O60911 8/20 0.46
CTSB P07858 8/20 0.46
CTSS P25774 8/20 0.46
CTSL P07711 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6407603 1.00 CTSK (0.46) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6406252 0.88 CTSK (0.45) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6405369 0.88 CTSK (0.45) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6405372 0.88 CTSK (0.45) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6402802 0.83 CTSK (0.66) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403665 0.83 CTSK (0.66) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6402799 0.83 CTSK (0.66) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403135 0.81 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6407622 0.81 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403132 0.81 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSV 10/4885CTSB 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.