SCHEMBL4048197

SCHEMBL4048197

CCC(OC(N)=O)C(=O)c1nc2ccc(F)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.43
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
XDH P47989 1/20 0.38
HSF1 Q00613 1/20 0.38
HCRTR1 O43613 2/20 0.36
CEPT1 Q9Y6K0 1/20 0.36
NAAA Q02083 2/20 0.35
CMA1 P23946 1/20 0.35
UTRN P46939 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
TSHR P16473 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL5519385 1.00 DAGLA (0.43) DAGLAPPARGPPARDPPARAXDH
SCHEMBL5528906 0.91 DAGLA (0.42) DAGLAPPARGPPARDPPARAXDH
SCHEMBL4046624 0.91 DAGLA (0.42) DAGLAPPARGPPARDPPARAXDH
SCHEMBL4048932 0.87 XDH (0.42) XDHHSF1GABRPGABRDGABRA1
SCHEMBL5523280 0.87 XDH (0.42) XDHHSF1GABRPGABRDGABRA1
SCHEMBL4050549 0.84 DAGLA (0.43) DAGLAXDHHSF1HCRTR1CEPT1
SCHEMBL5529494 0.84 DAGLA (0.43) DAGLAXDHHSF1HCRTR1CEPT1
SCHEMBL3959052 0.83 XDH (0.46) DAGLAXDHTP53CTSS
SCHEMBL3955590 0.83 XDH (0.46) DAGLAXDHTP53CTSS
SCHEMBL5522116 0.82 DAGLA (0.42) DAGLAPPARGPPARDPPARAXDH

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 DAGLA 2256/4885PPARG 1047/4885PPARD 1736/4885

“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.