SCHEMBL4814646

SCHEMBL4814646

C[C@@H](NC(=O)C(O)[C@H](CCCCN)NC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP9 P14780 4/20 0.46
MMP3 P08254 2/20 0.46
MMP1 P03956 1/20 0.46
NPY1R P25929 2/20 0.43
NPY5R Q15761 1/20 0.43
CPB2 Q96IY4 1/20 0.42
MMP8 P22894 3/20 0.42
CASR P41180 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAPT P10636 2/20 0.41
MMP14 P50281 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL4814666 1.00 POLB (0.50) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL4820530 0.87 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL5639478 0.87 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL4820525 0.87 POLB (0.67) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL14104859 0.85 CTSK (0.52) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL4897025 0.83 POLB (0.46) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL4897018 0.83 POLB (0.46) POLBCTDSP1MEN1KMT2AMMP9
SCHEMBL4817847 0.82 EPHX2 (0.49) POLBCTDSP1MEN1KMT2ACASR
SCHEMBL4904605 0.81 POLB (0.44) POLBCTDSP1MEN1KMT2AMMP3
SCHEMBL4819908 0.78 FOLH1 (0.49) CPB2MAPT

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 6 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 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-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 POLB 2328/4885CTDSP1 1496/4885MEN1 4424/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD POLB 2563/4885CTDSP1 3312/4885MEN1 3686/4885

“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.