SCHEMBL4904644

SCHEMBL4904644

CCCCC(CC1(CSc2nccc(-c3ccc(Cl)cc3)n2)CCC1)(NC(=O)O)C(O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.60
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DUSP10 Q9Y6W6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CAMK2D Q13557 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
SCHEMBL4896899 0.88 CTSK (0.53) CTSKPOLBMEN1KMT2A
SCHEMBL4903829 0.86 CTSK (0.64) CTSK
SCHEMBL4898956 0.83 CTSK (0.60) CTSKKDM4EPOLBMAPTMEN1
SCHEMBL5636582 0.81 CTSK (0.62) CTSKKDM4EPOLBMAPTMEN1
SCHEMBL4907382 0.80 CTSK (0.56) CTSKPOLB
SCHEMBL4900920 0.79 CTSK (0.57) CTSK
SCHEMBL4904038 0.79 CTSK (0.57) CTSK
SCHEMBL4900925 0.79 CTSK (0.57) CTSKPOLBMEN1KMT2A
SCHEMBL4904640 0.79 CTSK (0.63) CTSKPOLB
SCHEMBL14260310 0.78 CTSK (0.78) CTSK

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 CTSK 1/4885KDM4E 466/4885POLB 2328/4885

“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.