SCHEMBL4049876

SCHEMBL4049876

CCCC(OC(N)=O)C(=O)c1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.44
FAAH O00519 2/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MIF P14174 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSF1 Q00613 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLO1 Q04760 1/20 0.40

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
SCHEMBL5524842 1.00 XDH (0.44) XDHFAAHCES1RAB9ANPC1
SCHEMBL3959052 0.90 XDH (0.46) XDHFAAHCES1RAB9ANPC1
SCHEMBL3955590 0.90 XDH (0.46) XDHFAAHCES1RAB9ANPC1
SCHEMBL4046624 0.84 DAGLA (0.42) XDHHSF1
SCHEMBL5528906 0.84 DAGLA (0.42) XDHHSF1
SCHEMBL5522116 0.84 DAGLA (0.42) XDHRAB9AHSF1
SCHEMBL5522129 0.84 DAGLA (0.42) XDHRAB9AHSF1
SCHEMBL4050530 0.81 XDH (0.48) XDHFAAHCES1RAB9ANPC1
SCHEMBL7394467 0.81 FAAH (0.48) XDHFAAHCES1RAB9ANPC1
SCHEMBL5522134 0.81 XDH (0.48) XDHFAAHCES1RAB9ANPC1

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 11 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
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
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 XDH 2113/4885FAAH 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.