SCHEMBL5898752

SCHEMBL5898752

O=C(O)CN1OCC(O)=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
APEX1 P27695 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7681237 0.83 GLA (0.36) KDM4EALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL2422131 0.58 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL11427988 0.56 HSD17B10 (0.48) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL9693848 0.56 HSD17B10 (0.48) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL5945932 0.56 PTGS1 (0.42) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL5002371 0.56 SMN1; SMN2 (0.56) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL13104001 0.56 HSD17B10 (0.43) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL529016 0.56 HSD17B10 (0.43) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL515800 0.56 PTGS1 (0.52) HSD17B10KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL16050263 0.55 HSD17B10 (0.42) HSD17B10KDM4EALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399600-B1 ANTIBIOTIC RESISTANT BATERIA INFECTIONS SIMON FRASER UNIVERSITY (CA) 2002-06-04 US claimed
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
US-6660734-B1 Oxazinones having antibacterial activity SIMON FRASER UNIVERSITY (CA) 2003-12-09 US disclosed
US-6399600-B1 ANTIBIOTIC RESISTANT BATERIA INFECTIONS SIMON FRASER UNIVERSITY (CA) 2002-06-04 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 (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 HSD17B10 48/4885KDM4E 1661/4885ALDH1A1 584/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE HSD17B10 48/4885KDM4E 1661/4885ALDH1A1 584/4885
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 HSD17B10 68/4885KDM4E 1949/4885ALDH1A1 648/4885

“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.