SCHEMBL5898728

SCHEMBL5898728

C=CCON[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 2/20 0.42
TGM2 P21980 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALOX15 P16050 1/20 0.41
CTRB1 P17538 1/20 0.41

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
SCHEMBL7039395 1.00 CTSB (0.46) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL7039392 1.00 CTSB (0.46) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL10414186 0.80 CTSK (0.53) CTSBALDH1A1ATMCTRB1
SCHEMBL6963650 0.77 ALDH1A1 (0.55) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL22692566 0.77 ALDH1A1 (0.58) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL31153792 0.76 ALDH1A1 (0.46) CTSBALDH1A1ATMHCAR2
SCHEMBL5674461 0.76 ALDH1A1 (0.43) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL6963655 0.76 ALDH1A1 (0.56) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL6982935 0.76 ALDH1A1 (0.56) CTSBALDH1A1MAPTHPGDHSD17B10
SCHEMBL12264780 0.76 ALDH1A1 (0.56) CTSBALDH1A1MAPTHPGDHSD17B10

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-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

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 CTSB 1921/4885ALDH1A1 584/4885MAPT 3793/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE CTSB 1921/4885ALDH1A1 584/4885MAPT 3793/4885
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 CTSB 1929/4885ALDH1A1 648/4885MAPT 4008/4885

“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.