SCHEMBL4820525

SCHEMBL4820525

CCCC[C@H](NC(=O)O)C(O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.51
CTSK P43235 10/20 0.49
ALDH1A1 P00352 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 1/20 0.46
TLR2 O60603 1/20 0.44
MME P08473 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL4820530 1.00 POLB (0.67) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL5639478 1.00 POLB (0.67) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL4814646 0.87 POLB (0.50) POLBMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL4814666 0.87 POLB (0.50) POLBMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL17106924 0.85 CTSK (0.65) POLBCTSK
SCHEMBL17106932 0.85 CTSK (0.65) POLBCTSK
SCHEMBL17106933 0.85 CTSK (0.65) POLBCTSK
SCHEMBL17106925 0.85 CTSK (0.65) POLBCTSK
SCHEMBL4897018 0.83 POLB (0.46) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL4897025 0.83 POLB (0.46) POLBMEN1KMT2ACTDSP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 WO 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 POLB 2328/4885MEN1 4424/4885KMT2A 1064/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD POLB 2563/4885MEN1 3686/4885KMT2A 964/4885

“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.