SCHEMBL4800332

SCHEMBL4800332

COc1ccc(N2CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c3cccc(C)c3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.56
CTSS P25774 16/20 0.56
CTSK P43235 13/20 0.56
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
UTS2R Q9UKP6 1/20 0.46

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
SCHEMBL4801053 1.00 CTSL (0.56) CTSLCTSSCTSKPPARDPPARA
SCHEMBL4801325 0.79 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL4795899 0.79 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL4795900 0.79 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL4795897 0.79 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL25260564 0.73 MAPT (0.57) PPARDPPARA
SCHEMBL7403975 0.73 DRD4 (0.66) UTS2R
SCHEMBL4003572 0.72 ALDH1A1 (0.59) PPARDPPARA
SCHEMBL4003576 0.72 ALDH1A1 (0.59) PPARDPPARA
SCHEMBL4796814 0.72 CTSS (1.00) 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.