SCHEMBL6406972

SCHEMBL6406972

CCCC[C@H](N)C(O)C(=O)Nc1ccn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
FFAR2 O15552 1/20 0.44
PKM P14618 1/20 0.44
METAP2 P50579 2/20 0.41
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CHEK1 O14757 1/20 0.36
SPHK1 Q9NYA1 4/20 0.36
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
METAP1 P53582 1/20 0.35
TSHR P16473 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
SCHEMBL6404414 0.81 CTSK (0.50) CTSKFFAR2PKMCTSLCTSS
SCHEMBL4811319 0.81 CTSK (0.50) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6215913 0.81 CTSK (0.50) CTSKFFAR2PKMCTSLCTSS
SCHEMBL4811302 0.81 CTSK (0.50) CTSKFFAR2PKMCTSLCTSS
SCHEMBL4811407 0.81 CTSK (0.50) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6406194 0.77 CTSK (0.44) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6405409 0.77 CTSK (0.44) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6403780 0.77 CTSK (0.44) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6617658 0.77 CTSK (0.55) CTSKFFAR2PKMCTSLCTSS
SCHEMBL14105190 0.76 CTSK (0.50) CTSKPKMCTSLCTSS

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 1/4885FFAR2 1944/4885PKM 686/4885

“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.