SCHEMBL4819908

SCHEMBL4819908

C[C@@H](NC(=O)C(O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
ANPEP P15144 1/20 0.46
TGM2 P21980 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL4819898 1.00 FOLH1 (0.49) FOLH1CPB1CPB2HTTMAPT
SCHEMBL14104857 0.90 MAPT (0.58) FOLH1MAPT
SCHEMBL4907948 0.84 CYP3A4 (0.45)
SCHEMBL4817847 0.82 EPHX2 (0.49)
SCHEMBL4907951 0.81 MAPT (0.47) FOLH1CPB1CPB2HTTMAPT
SCHEMBL4907944 0.81 MAPT (0.47) FOLH1CPB1CPB2HTTMAPT
SCHEMBL418665 0.81 CYP3A4 (0.53)
SCHEMBL418578 0.81 CYP3A4 (0.53)
SCHEMBL4897025 0.79 POLB (0.46)
SCHEMBL4814666 0.78 POLB (0.50) 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 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-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

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 FOLH1 1390/4885CPB1 148/4885CPB2 266/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD FOLH1 1749/4885CPB1 104/4885CPB2 391/4885

“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.