SCHEMBL4047648

SCHEMBL4047648

CC(COC(N)=O)CC(=O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.44
CES1 P23141 2/20 0.44
DAGLA Q9Y4D2 1/20 0.44
XDH P47989 7/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSF1 Q00613 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLO1 Q04760 1/20 0.40
TLR4 O00206 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL4050534 0.78 DAGLA (0.55) FAAHCES1DAGLAXDHRAB9A
SCHEMBL14110403 0.78 FAAH (0.51) FAAHCES1DAGLAXDHRAB9A
SCHEMBL3955586 0.76 DAGLA (0.60) FAAHCES1DAGLAXDHNPSR1
SCHEMBL4049877 0.75 DAGLA (0.62) FAAHCES1DAGLAXDHNPSR1
SCHEMBL6063622 0.74 DAGLA (0.60) FAAHCES1DAGLAXDHRAB9A
SCHEMBL29573810 0.74 ALDH1A1 (0.51) FAAHCES1DAGLAXDHRAB9A
SCHEMBL6062417 0.73 DAGLA (0.67) FAAHCES1DAGLAXDH
SCHEMBL5522134 0.73 XDH (0.48) FAAHCES1DAGLAXDHRAB9A
SCHEMBL4050530 0.73 XDH (0.48) FAAHCES1DAGLAXDHRAB9A
SCHEMBL11937009 0.72 FAAH (0.59) FAAHCES1DAGLAXDHRAB9A

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
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US 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
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 FAAH 519/4885CES1 109/4885DAGLA 2256/4885

“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.