SCHEMBL4052286

SCHEMBL4052286

CC(C#N)(C#N)OC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DGAT1 O75907 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
SCHEMBL28312598 0.82 CTSK (0.37) CTSKLMNAHSD17B10DGAT1
Acetonitrile SCHEMBL20679756 0.80 CTSK (0.36) CTSKLMNAHSD17B10DGAT1
SCHEMBL2343523 0.79 CTSK (0.34) CTSKDGAT1
Water SCHEMBL27924553 0.78
SCHEMBL2343527 0.77 CTSK (0.33) CTSKDGAT1
SCHEMBL6155938 0.77 GAA (0.41) CTSKLMNAHSD17B10DGAT1
SCHEMBL31229018 0.76 CTSK (0.38) CTSKDGAT1
Ethylene SCHEMBL28215909 0.76 DGAT1 (0.44) LMNAHSD17B10DGAT1
SCHEMBL28902273 0.75 DGAT1 (0.42) LMNAHSD17B10DGAT1
SCHEMBL3094 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US claimed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP claimed
JP-2007535568-A 2007-12-06 JP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
CN-1976710-A Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2007-06-06 CN claimed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP claimed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 WO claimed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
CN-1976710-B Compounds and compositions as cathepsin S inhibitors IRM LLC 2011-03-30 CN disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
CN-1976710-A Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2007-06-06 CN 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF CTSK 9/4885LMNA 648/4885HSD17B10 2834/4885

“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.