SCHEMBL5898732

SCHEMBL5898732

CC(C(=O)OC(C)(C)C)N1OC[CH][CH]C1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL5898783 0.84 NFKB1 (0.36) NFKB1NFKB2RELAMAPK1
SCHEMBL5898780 0.84 NFKB1 (0.36) NFKB1NFKB2RELAMAPK1
SCHEMBL6322500 0.69 ELANE (0.32)
SCHEMBL312623 0.61 LMNA (0.55) MAPK1
SCHEMBL311575 0.61 LMNA (0.55) MAPK1
SCHEMBL26097774 0.61 MAPK1 (0.36) MAPK1
SCHEMBL17025687 0.61 HRH3 (0.35) MAPK1
SCHEMBL907526 0.60 LMNA (0.37)
SCHEMBL206710 0.58 CYP3A4 (0.44) NFKB1
SCHEMBL17965817 0.58 CA1 (0.39)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069091-A9 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2006-03-30 US disclosed
US-20050124612-A1 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2005-06-09 US disclosed
US-6861416-B2 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. (CA) 2005-03-01 US disclosed
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for CHIROLOGIX PHARMACEUTICALS, INC (CA) 2004-02-05 US disclosed
WO-2003011298-A1 ANTIBACTERIAL OXAZINONES AND METHODS FOR THEIR USE AND SYNTHESIS CHIROLOGIX PHARMACEUTICALS INC. (CA) 2003-02-13 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 (3 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-20060069091-A9 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE NFKB1 2091/4885NFKB2 3158/4885RELA 2052/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE NFKB1 2091/4885NFKB2 3158/4885RELA 2052/4885
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for SQLE, DHPS, COASY NFKB1 1966/4885NFKB2 3141/4885RELA 2099/4885

“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.