SCHEMBL4902213

SCHEMBL4902213

C[C@@H](NC(=O)C(O)C(CCCCNC(=O)N1CCOCC1)N(CC1(Cc2cccnc2)CCC1)C(=O)OC(C(=O)N[C@H](C)c1ccccc1)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2cccnc2)CCC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.57
CTSS P25774 6/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 1/20 0.38
EPHX1 P07099 1/20 0.34
EPHX2 P34913 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
SCHEMBL4900895 0.94 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL4908385 0.91 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL14260225 0.90 CTSK (0.67) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL4908363 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL14260222 0.84 CTSK (0.77) CTSKCTSSCTSLCTSB
SCHEMBL14260210 0.82 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL14260223 0.80 CTSK (0.86) CTSKCTSSCTSLCTSB
SCHEMBL14260219 0.80 CTSK (0.77) CTSKCTSSCTSLCTSB
SCHEMBL4907897 0.80 CTSK (0.63) CTSKCTSSCTSLCTSBEPHX2
SCHEMBL4898950 0.80 CTSK (0.76) CTSKCTSSCTSLCTSB

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 1/4885CTSS 2/4885CTSL 12/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885CTSS 2/4885CTSL 12/4885

“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.