SCHEMBL4900917

SCHEMBL4900917

CCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(CSc2nccn2-c2ccccc2)CCC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.61
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL4907377 0.91 CTSK (0.60) CTSKPOLBCTSLCTSBCTSS
SCHEMBL4896876 0.86 CTSK (0.57) CTSKPOLBCTSLCTSBCTSS
SCHEMBL4899328 0.86 CTSK (0.69) CTSKCTSLCTSBCTSS
SCHEMBL4895966 0.84 CTSK (0.61) CTSKPOLBCTSLCTSBCTSS
SCHEMBL4906745 0.84 CTSK (0.57) CTSKPOLBCTSLCTSBCTSS
SCHEMBL4898947 0.84 CTSK (0.64) CTSKRAB9APOLBTP53SMN1; SMN2
SCHEMBL14260287 0.82 CTSK (0.76) CTSKCTSLCTSBCTSS
SCHEMBL4904858 0.80 CTSK (0.58) CTSKPOLBCTSLCTSBCTSS
SCHEMBL4905551 0.79 CTSK (0.60) CTSKRAB9APOLBSMN1; SMN2CTSL
SCHEMBL4896822 0.79 CTSK (0.53) CTSKMEN1KMT2APOLBCTSL

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 1/4885MEN1 4424/4885ALDH1A1 4266/4885

“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.