SCHEMBL5842005

SCHEMBL5842005

COc1ccc(NCCNC(=O)C(CC2CCCCC2)NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.89
CTSL P07711 14/20 0.83
CTSK P43235 10/20 0.83

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
SCHEMBL5841996 1.00 CTSS (0.89) CTSSCTSLCTSK
SCHEMBL5843942 0.94 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5843943 0.94 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5842675 0.93 CTSS (0.79) CTSSCTSLCTSK
SCHEMBL5842673 0.93 CTSS (0.79) CTSSCTSLCTSK
SCHEMBL5843860 0.93 CTSS (0.78) CTSSCTSLCTSK
SCHEMBL5843852 0.93 CTSS (0.78) CTSSCTSLCTSK
SCHEMBL5842598 0.93 CTSS (0.78) CTSSCTSLCTSK
SCHEMBL5842592 0.93 CTSS (0.78) CTSSCTSLCTSK
SCHEMBL5841157 0.92 CTSS (0.79) CTSSCTSLCTSK

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 CTSS 1/4885CTSL 10/4885CTSK 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.