SCHEMBL4795306

SCHEMBL4795306

C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSK P43235 8/20 0.53
CTSL P07711 6/20 0.53
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL4799983 0.83 CTSS (0.57) CTSSCTSKCTSLALDH1A1
SCHEMBL4802540 0.83 CTSS (0.49) CTSSCTSKCTSL
SCHEMBL4796601 0.82 CTSS (0.47) CTSSCTSKCTSL
SCHEMBL4797862 0.79 CTSS (0.48) CTSSCTSKCTSL
SCHEMBL4798054 0.78 CTSS (0.51) CTSSCTSKCTSL
SCHEMBL4795302 0.77 LMNA (0.48) LMNAKMT2AMEN1GAAL3MBTL1
SCHEMBL4801081 0.76 CTSS (0.56) CTSSCTSKCTSL
SCHEMBL4795921 0.76 CTSS (0.47) CTSSCTSKCTSL
SCHEMBL3014757 0.76 CTSS (0.56) CTSSCTSKCTSL
SCHEMBL4796656 0.76 CTSS (0.46) CTSSCTSKCTSLKMT2AMEN1

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 CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885

“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.