SCHEMBL5522129

SCHEMBL5522129

CCCC(OC(N)=O)C(=O)c1nc2cc(F)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.42
CMA1 P23946 7/20 0.37
HSF1 Q00613 1/20 0.37
TLR4 O00206 1/20 0.36
XDH P47989 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HCRTR1 O43613 1/20 0.35
CEPT1 Q9Y6K0 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
UTRN P46939 2/20 0.34
CTSG P08311 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5522116 1.00 DAGLA (0.42) DAGLACMA1HSF1TLR4XDH
SCHEMBL5528906 0.91 DAGLA (0.42) DAGLACMA1HSF1XDHPPARG
SCHEMBL4046624 0.91 DAGLA (0.42) DAGLACMA1HSF1XDHPPARG
SCHEMBL5524842 0.84 XDH (0.44) HSF1XDHRAB9A
SCHEMBL4049876 0.84 XDH (0.44) HSF1XDHRAB9A
SCHEMBL5519385 0.82 DAGLA (0.43) DAGLACMA1HSF1XDHPPARG
SCHEMBL4048197 0.82 DAGLA (0.43) DAGLACMA1HSF1XDHPPARG
SCHEMBL5517471 0.77 MAPT (0.42) HSF1XDHRAB9ATAS1R3TAS1R1
SCHEMBL4051005 0.77 MAPT (0.42) HSF1XDHRAB9ATAS1R3TAS1R1
SCHEMBL3959052 0.74 XDH (0.46) DAGLATLR4XDHRAB9A

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 2256/4885CMA1 14/4885HSF1 2090/4885

“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.