SCHEMBL4915829

SCHEMBL4915829

CC(C)CC(=O)C(=[N+]=[N-])C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSK P43235 2/20 0.40
SLC15A1 P46059 1/20 0.40
ATM Q13315 1/20 0.39
MMP9 P14780 1/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8404254 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6654150 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL30115183 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27549934 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL26658 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL29440125 0.79 ATM (0.46) ALDH1A1CTSKATMCTSLCTSB
SCHEMBL31228371 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL16370038 0.78 HTT (0.43) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5245374 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL25600101 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability PFIZER INC 2008-05-29 US disclosed
US-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability PFIZER INC 2008-05-29 US disclosed
WO-2008059367-A1 PENEM PRODRUGS PFIZER PRODUCTS INC. (US) 2008-05-22 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-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability SULT1E1, OXER1, MALT1 ALDH1A1 727/4885MAPK1 1882/4885L3MBTL1 1140/4885

“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.