SCHEMBL4074501

SCHEMBL4074501

CC(C)(C)OC(=O)NC(CNc1cc(F)c(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.44
PPARG P37231 7/20 0.44
ACE P12821 1/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
PTPN1 P18031 1/20 0.39
BCL2 P10415 3/20 0.39
CTSS P25774 4/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 3/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARD Q03181 2/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4997059 1.00 PPARA (0.44) PPARAPPARGACEGSTP1GSTM2
SCHEMBL4077817 0.93 PPARA (0.43) PPARAPPARGACEGSTP1GSTM2
SCHEMBL4077821 0.93 PPARA (0.43) PPARAPPARGACEGSTP1GSTM2
SCHEMBL1741773 0.87 PPARA (0.45) PPARAPPARGACEGSTP1GSTM2
SCHEMBL6179283 0.84 BCL2 (0.46) PPARAPPARGACEGSTP1GSTM2
SCHEMBL31656020 0.83 AAK1 (0.45) PPARAPPARGACEGSTP1GSTM2
SCHEMBL645782 0.82 PPARA (0.48) PPARAPPARGACEGSTP1GSTM2
SCHEMBL4704052 0.82 PPARA (0.48) PPARAPPARGACEGSTP1GSTM2
SCHEMBL949969 0.82 PPARA (0.48) PPARAPPARGACEGSTP1GSTM2
SCHEMBL17321193 0.82 PPARA (0.42) PPARAPPARGACEPTPN1CTSS

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-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES BACE1, BACE2, PSEN1 PPARA 2477/4885PPARG 1998/4885ACE 162/4885

“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.