SCHEMBL4906758

SCHEMBL4906758

CN(C)S(=O)(=O)NN(C(=O)O)[C@@H](CCCCCC1(Cc2ccc(F)cc2)CCC1)C(O)C(=O)NCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
NAMPT P43490 9/20 0.40
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KCNA5 P22460 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
SCHEMBL4906749 0.85 CTSK (0.58) CTSSCTSKNAMPTGAATSHR
SCHEMBL4904948 0.83 CTSS (0.62) CTSSCTSKNAMPTGAATSHR
SCHEMBL4904956 0.83 CTSS (0.62) CTSSCTSKNAMPTGAATSHR
SCHEMBL6647675 0.81 KMT2A (0.49) CTSKNAMPTGAAPKMKMT2A
SCHEMBL14260245 0.75 CTSK (0.78) CTSSCTSKNAMPTGAATSHR
SCHEMBL4908452 0.73 CTSS (0.70) CTSSCTSKNAMPTGAATSHR
SCHEMBL4908456 0.73 CTSS (0.70) CTSSCTSKNAMPTGAATSHR
SCHEMBL14260244 0.69 CTSK (1.00) CTSSCTSK
SCHEMBL4904781 0.69 CTSS (0.44) CTSSCTSKNAMPTPKMKMT2A
SCHEMBL4904759 0.69 CTSS (0.44) CTSSCTSKNAMPTPKMKMT2A

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 1 patent. 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

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-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.