SCHEMBL5458188

SCHEMBL5458188

O=C1CN(C(=O)OCc2ccccc2)CCCC1NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSL P07711 13/20 0.54
CTSS P25774 12/20 0.54
CTSB P07858 4/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14491110 1.00 CTSK (0.54) CTSKCTSLCTSSCTSBMEN1
SCHEMBL5420643 0.86 CTSK (0.48) CTSKCTSLCTSSCTSBMEN1
SCHEMBL5436159 0.85 CTSS (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL6847162 0.83 CTSS (0.49) CTSKCTSLCTSSCTSB
SCHEMBL14491113 0.83 CTSS (0.49) CTSKCTSLCTSSCTSB
SCHEMBL6843054 0.82 CTSS (0.47) CTSKCTSLCTSSCTSBMEN1
SCHEMBL14491119 0.80 CTSS (0.52) CTSKCTSLCTSSCTSB
SCHEMBL6848372 0.80 CTSS (0.52) CTSKCTSLCTSSCTSB
SCHEMBL6847753 0.80 CTSS (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL14491112 0.80 CTSS (0.49) CTSKCTSLCTSSCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
EP-1436255-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed
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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSL 11/4885CTSS 1/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSL 11/4885CTSS 1/4885

“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.