SCHEMBL6848353

SCHEMBL6848353

O=C1CC(NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N2CCOCC2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.54
CTSB P07858 5/20 0.44
CTSL P07711 5/20 0.44
CTSK P43235 2/20 0.42
CTSH P09668 1/20 0.42
CTSC P53634 1/20 0.42
TACR2 P21452 2/20 0.41

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
SCHEMBL6848124 0.89 CTSS (0.55) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6848372 0.84 CTSS (0.52) CTSSCTSBCTSLCTSK
SCHEMBL14491119 0.84 CTSS (0.52) CTSSCTSBCTSLCTSK
SCHEMBL3023908 0.83 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL3023913 0.83 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL5438934 0.83 CTSS (0.57) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6848129 0.83 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6560100 0.83 CTSS (0.53) CTSSCTSBCTSLCTSKCTSH
SCHEMBL14565773 0.82 CTSS (0.52) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6847753 0.81 CTSS (0.49) CTSSCTSBCTSLCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US disclosed
US-6696600-B2 NONHYGROSCOPIC, CRYSTALLINE MONO- OR DICARBOXYLIC ACID DERIVATIVE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-02-24 US disclosed
US-20030162832-A1 L-DOPA ethyl ester salts and uses thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-08-28 US disclosed
WO-2003041646-A2 L-DOPA ETHYL ESTER SALTS AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-05-22 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSL 11/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSB 2/4885CTSL 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.