SCHEMBL5898737

SCHEMBL5898737

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.39
TGM2 P21980 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTSB P07858 2/20 0.38
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL7042340 0.89 ALDH1A1 (0.42) ALDH1A1HCAR2LMNATGM2L3MBTL1
SCHEMBL5898733 0.85 ALDH1A1 (0.39) ALDH1A1HCAR2LMNAL3MBTL1CTSB
Bromide SCHEMBL6315698 0.82 ALDH1A1 (0.36) ALDH1A1HCAR2LMNAL3MBTL1CTSB
SCHEMBL31153792 0.72 ALDH1A1 (0.46) ALDH1A1HCAR2LMNAL3MBTL1CTSB
SCHEMBL26290931 0.72 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAL3MBTL1CTSB
SCHEMBL18510056 0.72 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAL3MBTL1CTSB
SCHEMBL16631727 0.72 ALDH1A1 (0.40) ALDH1A1TGM2L3MBTL1CTSBKMT2A
SCHEMBL7039395 0.71 CTSB (0.46) ALDH1A1HCAR2TGM2CTSBMAPT
SCHEMBL7039392 0.71 CTSB (0.46) ALDH1A1HCAR2TGM2CTSBMAPT
SCHEMBL5898728 0.71 CTSB (0.46) ALDH1A1HCAR2TGM2CTSBMAPT

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 ALDH1A1 584/4885HCAR2 1243/4885LMNA 4106/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE ALDH1A1 584/4885HCAR2 1243/4885LMNA 4106/4885
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 ALDH1A1 648/4885HCAR2 1666/4885LMNA 4459/4885

“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.