SCHEMBL4820841

SCHEMBL4820841

CCCCC(N)C(O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.52
METAP2 P50579 7/20 0.52
METAP1 P53582 7/20 0.52
CTSK P43235 6/20 0.47
ALDH1A1 P00352 1/20 0.47
ASAH1 Q13510 1/20 0.47
ACER2 Q5QJU3 1/20 0.47
MMP2 P08253 2/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL8372763 1.00 POLB (0.68) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL4810725 1.00 POLB (0.68) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL8372762 1.00 POLB (0.68) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL418739 0.92 POLB (0.59) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL417597 0.92 POLB (0.59) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL13643823 0.86 MEN1 (0.65) POLBMEN1KMT2ACTDSP1METAP2
SCHEMBL5639478 0.83 POLB (0.67) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL4820530 0.83 POLB (0.67) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL4820525 0.83 POLB (0.67) POLBMEN1KMT2ACTDSP1CTSK
SCHEMBL8354345 0.82 EPHX2 (0.50) POLBMEN1KMT2ACTDSP1METAP2

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 4 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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.