SCHEMBL4908456

SCHEMBL4908456

CN(C)S(=O)(=O)NCCCCC(C(=O)C(=O)NCc1cccnc1)N(CC1(Cc2ccc(F)cc2)CCC1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.70
CTSK P43235 2/20 0.70
NAMPT P43490 7/20 0.40
TBXAS1 P24557 4/20 0.40
GAA P10253 2/20 0.37
CTSL P07711 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
FES P07332 1/20 0.35
RET P07949 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35
FLT4 P35916 1/20 0.35
SYK P43405 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL4908452 1.00 CTSS (0.70) CTSSCTSKNAMPTTBXAS1GAA
SCHEMBL4899274 0.92 CTSK (0.86) CTSSCTSKNAMPTCTSL
SCHEMBL4904948 0.87 CTSS (0.62) CTSSCTSKNAMPTTBXAS1GAA
SCHEMBL4904956 0.87 CTSS (0.62) CTSSCTSKNAMPTTBXAS1GAA
SCHEMBL14260244 0.82 CTSK (1.00) CTSSCTSKCTSL
SCHEMBL14260245 0.77 CTSK (0.78) CTSSCTSKNAMPTTBXAS1GAA
SCHEMBL5636688 0.73 CTSK (0.63) CTSSCTSKNAMPTTBXAS1FES
SCHEMBL5636660 0.73 CTSK (0.63) CTSSCTSKNAMPTTBXAS1FES
SCHEMBL4906758 0.73 CTSS (0.53) CTSSCTSKNAMPTGAATSHR
SCHEMBL4904968 0.69 CTSK (0.62) CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 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 CTSS 2/4885CTSK 1/4885NAMPT 1150/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSS 2/4885CTSK 1/4885NAMPT 1150/4885

“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.