SCHEMBL4048936

SCHEMBL4048936

Cc1ccc2nc(C(=O)CCCOC(N)=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 6/20 0.44
XDH P47989 2/20 0.42
TLR4 O00206 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
FAAH O00519 4/20 0.41
CES1 P23141 2/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL4048199 0.86 DAGLA (0.60) DAGLAXDHFAAHCES1
SCHEMBL3955586 0.83 DAGLA (0.60) DAGLAXDHMAPTFAAHCES1
SCHEMBL4046625 0.82 DAGLA (0.62) DAGLAFAAHCES1
SCHEMBL4049877 0.79 DAGLA (0.62) DAGLAXDHMAPTFAAHCES1
SCHEMBL4051007 0.79 DAGLA (0.44) DAGLAXDHKDM4EMAPTFAAH
SCHEMBL4050551 0.78 DAGLA (0.57) DAGLAXDHFAAHCES1
SCHEMBL5522120 0.75 DAGLA (0.62) DAGLAXDHTLR4FAAHCES1
SCHEMBL4050534 0.75 DAGLA (0.55) DAGLAXDHTLR4NLRP3KDM4E
SCHEMBL4212922 0.74 FAAH (0.73) DAGLAFAAHCES1
SCHEMBL5524745 0.72 DAGLA (0.61) 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 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 DAGLA 2256/4885XDH 2113/4885TLR4 4845/4885

“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.