SCHEMBL4904915

SCHEMBL4904915

O=C(O)N[C@@H](CCCCC1(c2nc3ccccc3s2)CCCC1)C(=O)C(=O)Nc1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.38
DPP4 P27487 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL4907439 0.77 CTSL (0.34) CTSK
SCHEMBL4904902 0.73 CTSK (0.37) CTSKDPP4
SCHEMBL4904930 0.71 NPC1 (0.35) DPP4
SCHEMBL5637491 0.71 CTSK (0.53) CTSK
SCHEMBL5637506 0.71 CTSK (0.53) CTSK
SCHEMBL14260249 0.65 CTSK (0.60) CTSK
SCHEMBL6648974 0.62 CTSK (0.45) CTSKHDAC3HDAC4HDAC1HDAC7
SCHEMBL25046186 0.62 LOXL2 (0.40)
SCHEMBL6407660 0.62 NPC1 (0.36) CTSK
SCHEMBL6407656 0.62 NPC1 (0.36) CTSK

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 5 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
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO 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 1/4885DPP4 1503/4885HDAC3 175/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885DPP4 1503/4885HDAC3 175/4885

“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.