SCHEMBL6403446

SCHEMBL6403446

CCCC[C@@H](C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)O)C(Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSV O60911 9/20 0.47
CTSB P07858 9/20 0.47
CTSS P25774 9/20 0.47
CTSL P07711 6/20 0.42
DDX3X O00571 1/20 0.37
NR1H4 Q96RI1 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
POLB P06746 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
SCHEMBL6404166 1.00 CTSK (0.47) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6406171 1.00 CTSK (0.47) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6401707 0.93 CTSK (0.44) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6401711 0.93 CTSK (0.44) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6407622 0.93 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403132 0.93 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403135 0.93 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6404533 0.93 CTSK (0.46) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6404535 0.93 CTSK (0.46) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6408243 0.93 CTSK (0.46) 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.