SCHEMBL4801248

SCHEMBL4801248

COc1ccc(NCCNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cccc(C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.63
CTSS P25774 18/20 0.63
CTSK P43235 6/20 0.63

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
SCHEMBL4801265 1.00 CTSL (0.63) CTSLCTSSCTSK
SCHEMBL4801257 1.00 CTSL (0.63) CTSLCTSSCTSK
SCHEMBL4826136 0.89 CTSS (0.53) CTSLCTSSCTSK
SCHEMBL4827345 0.88 SSTR3 (0.53) CTSLCTSSCTSK
SCHEMBL14193424 0.87 CTSS (0.61) CTSLCTSSCTSK
SCHEMBL14193428 0.84 CTSS (0.61) CTSLCTSSCTSK
SCHEMBL14020890 0.84 CTSL (0.53) CTSLCTSSCTSK
SCHEMBL4825225 0.84 CXCR6 (0.49) CTSLCTSSCTSK
SCHEMBL4821234 0.82 SSTR3 (0.47) CTSLCTSSCTSK
SCHEMBL4822757 0.82 CTSS (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 9/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 9/4885

“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.