SCHEMBL6401711

SCHEMBL6401711

CCCC[C@@H](C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)O)[C@H](CCc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
CTSV O60911 7/20 0.44
CTSB P07858 7/20 0.44
CTSS P25774 7/20 0.44
DDX3X O00571 1/20 0.40
CTSL P07711 5/20 0.39
NR1H4 Q96RI1 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL6401707 1.00 CTSK (0.44) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6403446 0.93 CTSK (0.47) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6404166 0.93 CTSK (0.47) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6406171 0.93 CTSK (0.47) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6403135 0.86 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403132 0.86 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6407622 0.86 CTSK (0.43) CTSKCTSVCTSBCTSSCTSL
SCHEMBL6403223 0.86 CTSK (0.41) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6408243 0.86 CTSK (0.46) CTSKCTSVCTSBCTSSDDX3X
SCHEMBL6404533 0.86 CTSK (0.46) CTSKCTSVCTSBCTSSDDX3X

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.