SCHEMBL13624345

SCHEMBL13624345

COc1ccc(NC[C@H](CCS(C)(=O)=O)NC(=O)[C@H](CC(C)C)N[C@@H](c2ccccc2)C(F)(F)F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.45
CTSK P43235 9/20 0.45
CTSS P25774 8/20 0.45
CTSB P07858 5/20 0.45
CTSF Q9UBX1 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL13624347 0.92 CTSK (0.50) CTSLCTSKCTSSCTSBCTSF
SCHEMBL13624348 0.91 GAA (0.41) CTSLCTSKCTSSCTSBMEN1
SCHEMBL13624329 0.90 CTSL (0.52) CTSLCTSKCTSSCTSBMEN1
SCHEMBL4370766 0.88 CTSL (0.46) CTSLCTSKCTSSCTSBMEN1
SCHEMBL13624346 0.88 CTSK (0.40) CTSLCTSKCTSSCTSBCTSF
SCHEMBL13624350 0.88 CTSK (0.40) CTSLCTSKCTSSCTSBCTSF
SCHEMBL4368350 0.88 CTSL (0.45) CTSLCTSKCTSSCTSBMEN1
SCHEMBL13624396 0.88 MEN1 (0.42) CTSLCTSKCTSSCTSBMEN1
SCHEMBL13624334 0.86 CTSL (0.51) CTSLCTSKCTSSCTSBMEN1
SCHEMBL13624330 0.85 CTSL (0.56) CTSLCTSKCTSSCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CTSL 24/4885CTSK 15/4885CTSS 5/4885

“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.