SCHEMBL5529494

SCHEMBL5529494

C[C@H](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
HSF1 Q00613 1/20 0.37
XDH P47989 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
PDK1 Q15118 1/20 0.36

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
SCHEMBL4050549 1.00 DAGLA (0.43) DAGLAHSF1XDHGABRPGABRD
SCHEMBL5519385 0.84 DAGLA (0.43) DAGLAHSF1XDHGABRPGABRD
SCHEMBL4048197 0.84 DAGLA (0.43) DAGLAHSF1XDHGABRPGABRD
SCHEMBL4046624 0.82 DAGLA (0.42) DAGLAHSF1XDHPDK1PDK2
SCHEMBL5528906 0.82 DAGLA (0.42) DAGLAHSF1XDHPDK1PDK2
SCHEMBL4050530 0.82 XDH (0.48) DAGLAXDHELANE
SCHEMBL5522134 0.82 XDH (0.48) DAGLAXDHELANE
SCHEMBL4054811 0.81 DAGLA (0.40) DAGLAHSF1XDHGABRPGABRD
SCHEMBL5520581 0.81 DAGLA (0.40) DAGLAHSF1XDHGABRPGABRD
SCHEMBL27682959 0.76 DAGLA (0.46) DAGLAXDHGABRPGABRDGABRA1

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 2256/4885HSF1 2090/4885XDH 2113/4885

“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.