SCHEMBL4813029

SCHEMBL4813029

CCCCC(NC(=O)O)C(O)C#N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
CA2 P00918 3/20 0.36
MAPK1 P28482 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
FFAR1 O14842 1/20 0.35
DPP7 Q9UHL4 5/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP4 P27487 4/20 0.35
DPP9 Q86TI2 4/20 0.35
PLA2G2C Q5R387 1/20 0.34
CA1 P00915 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL6605681 1.00 CTSS (0.38) CTSSCTSKCA2MAPK1GPR84
SCHEMBL4813012 1.00 CTSS (0.38) CTSSCTSKCA2MAPK1GPR84
SCHEMBL6605430 1.00 CTSS (0.38) CTSSCTSKCA2MAPK1GPR84
SCHEMBL6402824 1.00 CTSS (0.38) CTSSCTSKCA2MAPK1GPR84
SCHEMBL6402816 1.00 CTSS (0.38) CTSSCTSKCA2MAPK1GPR84
SCHEMBL23496358 0.82 CTSC (0.33) CTSSCTSK
SCHEMBL6403622 0.81 ACACB (0.36)
SCHEMBL19744749 0.80 FOLH1 (0.31)
SCHEMBL19744753 0.80 FOLH1 (0.31)
SCHEMBL8371558 0.79 CTSK (0.56) CTSSCTSKCA2CA1

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 CTSS 4/4885CTSK 1/4885CA2 523/4885

“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.