SCHEMBL4049877

SCHEMBL4049877

NC(=O)OCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 13/20 0.62
FAAH O00519 8/20 0.62
CES1 P23141 5/20 0.62
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
XDH P47989 2/20 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
SCHEMBL3955586 0.96 DAGLA (0.60) DAGLAFAAHCES1ALDH1A1MAPT
SCHEMBL4050534 0.91 DAGLA (0.55) DAGLAFAAHCES1ALDH1A1MAPT
SCHEMBL6062417 0.84 DAGLA (0.67) DAGLAFAAHCES1XDH
SCHEMBL4046625 0.83 DAGLA (0.62) DAGLAFAAHCES1
SCHEMBL5522120 0.83 DAGLA (0.62) DAGLAFAAHCES1XDH
SCHEMBL6063622 0.79 DAGLA (0.60) DAGLAFAAHCES1ALDH1A1KMT2A
SCHEMBL4051007 0.79 DAGLA (0.44) DAGLAFAAHCES1MAPTKMT2A
SCHEMBL4048936 0.79 DAGLA (0.44) DAGLAFAAHCES1ALDH1A1MAPT
SCHEMBL4048199 0.79 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL3962620 0.79 FAAH (0.85) DAGLAFAAHCES1

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 13 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
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
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP 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
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 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 (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 DAGLA 2256/4885FAAH 519/4885CES1 109/4885

“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.