SCHEMBL5954971

SCHEMBL5954971

CCCS(=O)(=O)CC[C@H](CC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(=O)c1nc(CC)no1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.34
CTSK P43235 9/20 0.34
CTSL P07711 8/20 0.34
TMEM97 Q5BJF2 2/20 0.31
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5954968 0.90 CTSS (0.34) CTSSCTSKCTSLTMEM97
SCHEMBL5954977 0.90 CTSS (0.34) CTSSCTSKCTSLTMEM97
SCHEMBL5955140 0.86 POLB (0.43) CTSSCTSKCTSL
SCHEMBL5954882 0.86 CTSS (0.34) CTSSCTSKCTSL
SCHEMBL5954886 0.86 CTSS (0.34) CTSSCTSKCTSL
Cyclopropane SCHEMBL5955274 0.85 CTSS (0.35) CTSSCTSKCTSLTMEM97
SCHEMBL5955267 0.84 CTSS (0.34) CTSSCTSKCTSL
SCHEMBL5955273 0.78 TMEM97 (0.32) TMEM97
SCHEMBL5955143 0.76 POLB (0.36) CTSSCTSKCTSL
SCHEMBL6371758 0.75 CTSS (0.39) CTSSCTSKCTSL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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 (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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSK 8/4885CTSL 11/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSK 8/4885CTSL 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.