SCHEMBL4363523

SCHEMBL4363523

COc1ccc(NC[C@H](CO)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.58
CTSB P07858 8/20 0.58
CTSF Q9UBX1 8/20 0.58
CTSL P07711 7/20 0.58
CTSV O60911 1/20 0.53
CTSS P25774 1/20 0.53

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
SCHEMBL4374382 0.94 CTSK (0.57) CTSKCTSBCTSFCTSLCTSV
SCHEMBL4368471 0.89 CTSK (0.53) CTSKCTSBCTSFCTSLCTSV
SCHEMBL4370048 0.89 CTSB (0.57) CTSKCTSBCTSFCTSLCTSV
SCHEMBL13624278 0.83 CTSB (0.57) CTSKCTSBCTSFCTSLCTSV
SCHEMBL4373818 0.83 CTSK (0.54) CTSKCTSBCTSFCTSLCTSV
SCHEMBL4367713 0.80 CTSB (0.55) CTSKCTSBCTSFCTSLCTSV
SCHEMBL13624170 0.80 CTSK (0.54) CTSKCTSBCTSFCTSLCTSV
SCHEMBL13624169 0.79 CTSK (0.54) CTSKCTSBCTSFCTSLCTSV
SCHEMBL8121829 0.78 CTSK (0.71) CTSKCTSBCTSFCTSLCTSV
SCHEMBL23874956 0.77 CTSB (0.62) CTSKCTSBCTSFCTSLCTSV

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-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
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 CTSK 15/4885CTSB 4/4885CTSF 3/4885

“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.