SCHEMBL5842539

SCHEMBL5842539

COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 1.00
CTSS P25774 18/20 1.00
CTSK P43235 7/20 0.85

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
SCHEMBL5842545 1.00 CTSL (1.00) CTSLCTSSCTSK
SCHEMBL5844105 0.96 CTSL (0.92) CTSLCTSSCTSK
SCHEMBL5844107 0.96 CTSL (0.92) CTSLCTSSCTSK
SCHEMBL5844368 0.91 CTSS (0.83) CTSLCTSSCTSK
SCHEMBL5844371 0.91 CTSS (0.83) CTSLCTSSCTSK
SCHEMBL5843522 0.90 CTSS (0.82) CTSLCTSSCTSK
SCHEMBL5843530 0.90 CTSS (0.82) CTSLCTSSCTSK
SCHEMBL5844623 0.89 CTSS (0.81) CTSLCTSSCTSK
SCHEMBL5844628 0.89 CTSS (0.81) CTSLCTSSCTSK
SCHEMBL5842487 0.87 CTSS (0.76) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE CTSL 10/4885CTSS 1/4885CTSK 2/4885

“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.