SCHEMBL4907786

SCHEMBL4907786

CCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(Cc2ccccc2)CCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
CTSL P07711 8/20 0.53
CTSS P25774 5/20 0.53
CTSB P07858 4/20 0.51
POLB P06746 1/20 0.47
MME P08473 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL4896822 0.98 CTSK (0.53) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4907506 0.89 CTSK (0.54) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4908100 0.89 CTSK (0.55) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4904322 0.84 POLB (0.43) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4904858 0.83 CTSK (0.58) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4904566 0.83 CTSS (0.54) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4907311 0.83 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL4905310 0.82 CTSK (0.49) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4910242 0.82 CTSK (0.49) CTSKCTSLCTSSCTSBPOLB
SCHEMBL4896876 0.82 CTSK (0.57) CTSKCTSLCTSSCTSBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CTSK 1/4885CTSL 12/4885CTSS 2/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885CTSL 12/4885CTSS 2/4885

“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.