SCHEMBL6842080

SCHEMBL6842080

CC(C)C[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)C[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.55
CTSK P43235 18/20 0.55
CTSS P25774 14/20 0.55
CTSB P07858 3/20 0.54
CTSV O60911 1/20 0.54
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49

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
SCHEMBL7421759 0.88 CTSK (0.62) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6212039 0.87 CTSK (0.73) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6841726 0.84 CTSL (0.55) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6836911 0.83 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6211533 0.83 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842321 0.83 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842091 0.83 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842341 0.82 CTSK (0.65) CTSLCTSKCTSSCTSBCTSV
SCHEMBL13784253 0.82 CTSK (0.52) CTSLCTSKCTSSCTSBCTSV
SCHEMBL13784250 0.82 CTSK (0.52) CTSLCTSKCTSSCTSBCTSV

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-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSL 11/4885CTSK 1/4885CTSS 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.