SCHEMBL5528906

SCHEMBL5528906

CCC[C@H](OC(N)=O)C(=O)c1nc2ccc(F)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.42
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
HSF1 Q00613 1/20 0.37
XDH P47989 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NAAA Q02083 3/20 0.35
HCRTR1 O43613 1/20 0.35
CEPT1 Q9Y6K0 1/20 0.35
CMA1 P23946 1/20 0.34
UTRN P46939 1/20 0.34

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
SCHEMBL4046624 1.00 DAGLA (0.42) DAGLAPDK1PDK2TAS1R3TAS1R1
SCHEMBL5522116 0.91 DAGLA (0.42) DAGLATAS1R3TAS1R1HSF1XDH
SCHEMBL5522129 0.91 DAGLA (0.42) DAGLATAS1R3TAS1R1HSF1XDH
SCHEMBL5519385 0.91 DAGLA (0.43) DAGLAPDK1PDK2HSF1XDH
SCHEMBL4048197 0.91 DAGLA (0.43) DAGLAPDK1PDK2HSF1XDH
SCHEMBL5524842 0.84 XDH (0.44) HSF1XDH
SCHEMBL4049876 0.84 XDH (0.44) HSF1XDH
SCHEMBL5529494 0.82 DAGLA (0.43) DAGLAPDK1PDK2HSF1XDH
SCHEMBL4050549 0.82 DAGLA (0.43) DAGLAPDK1PDK2HSF1XDH
SCHEMBL5523280 0.78 XDH (0.42) HSF1XDH

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 4 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
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US 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 2256/4885PDK1 3277/4885PDK2 3864/4885

“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.