SCHEMBL1741773

SCHEMBL1741773

CC(C)(C)OC(=O)N[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
BCL2 P10415 3/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACE P12821 1/20 0.41
PKM P14618 1/20 0.41
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
HCAR3 P49019 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNMA1 Q12791 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6179283 0.88 BCL2 (0.46) PPARAPPARGALDH1A1BCL2ACE
SCHEMBL31656020 0.88 AAK1 (0.45) PPARAPPARGBCL2CTSSCTSK
SCHEMBL4997059 0.87 PPARA (0.44) PPARAPPARGALDH1A1BCL2CTSS
SCHEMBL4074501 0.87 PPARA (0.44) PPARAPPARGALDH1A1BCL2CTSS
SCHEMBL4704052 0.85 PPARA (0.48) PPARAPPARGALDH1A1BCL2CTSS
SCHEMBL645782 0.85 PPARA (0.48) PPARAPPARGALDH1A1BCL2CTSS
SCHEMBL949969 0.85 PPARA (0.48) PPARAPPARGALDH1A1BCL2CTSS
SCHEMBL4077821 0.84 PPARA (0.43) PPARAPPARGBCL2CTSSCTSK
SCHEMBL4077817 0.84 PPARA (0.43) PPARAPPARGBCL2CTSSCTSK
SCHEMBL4072614 0.83 AAK1 (0.45) PPARAPPARGCTSSCTSKACE

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
US-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 US disclosed
EP-2389366-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-11-30 EP disclosed
US-8040502-B2 Optical inspection of flat media using direct image technology WDI WISE DEVICE INC. (CA) 2011-10-18 US disclosed
WO-2010084979-A1 BENZODIAZEPIN-2-ON DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-07-29 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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 PPARA 103/4885PPARG 47/4885ALDH1A1 1126/4885

“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.