SCHEMBL5841433

SCHEMBL5841433

N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.64
CTSL P07711 16/20 0.64
CTSK P43235 12/20 0.62
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5841440 1.00 CTSS (0.64) CTSSCTSLCTSKKDM4EALDH1A1
SCHEMBL3019568 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL5841446 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL5841920 0.86 CTSS (0.49) CTSSCTSLCTSK
SCHEMBL4800085 0.84 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4800065 0.84 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL4800071 0.84 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL3017458 0.84 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL6688065 0.83 CTSS (0.51) CTSSCTSLCTSKKDM4EALDH1A1
SCHEMBL3022159 0.83 CTSS (0.68) 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.