SCHEMBL4047646

SCHEMBL4047646

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 11/20 0.46
ELANE P08246 1/20 0.44
NLRP3 Q96P20 3/20 0.42
TLR4 O00206 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLO1 Q04760 1/20 0.40
CTSS P25774 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 2/20 0.39
CES1 P23141 1/20 0.39
DAGLA Q9Y4D2 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
SCHEMBL5524517 1.00 XDH (0.46) XDHELANENLRP3TLR4RAB9A
SCHEMBL5522134 0.86 XDH (0.48) XDHELANENLRP3TLR4RAB9A
SCHEMBL4050530 0.86 XDH (0.48) XDHELANENLRP3TLR4RAB9A
SCHEMBL3955590 0.81 XDH (0.46) XDHELANENLRP3TLR4RAB9A
SCHEMBL3959052 0.81 XDH (0.46) XDHELANENLRP3TLR4RAB9A
SCHEMBL5524842 0.79 XDH (0.44) XDHRAB9ANPC1KDM4EGLO1
SCHEMBL4049876 0.79 XDH (0.44) XDHRAB9ANPC1KDM4EGLO1
SCHEMBL11929986 0.78 ELANE (0.50) XDHELANEKDM4ECTSSALDH1A1
SCHEMBL2163883 0.75 CTSS (0.39) XDHELANERAB9ANPC1CTSS
SCHEMBL1535700 0.73 FAAH (0.54) XDHNLRP3TLR4RAB9ANPC1

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 XDH 2113/4885ELANE 104/4885NLRP3 1578/4885

“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.