SCHEMBL3176263

SCHEMBL3176263

CCCCC(CO)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
CA1 P00915 4/20 0.52
CPB2 Q96IY4 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL3845206 0.94 CPB2 (0.50) CA2CA1CPB2MAPK1SLC1A2
SCHEMBL277442 0.92 CPB2 (0.53) CA2CA1CPB2MAPK1SLC1A2
SCHEMBL319980 0.92 CPB2 (0.53) CA2CA1CPB2MAPK1SLC1A2
Ammonia Solution, Strong SCHEMBL5121318 0.90 CPB2 (0.51) CA2CA1CPB2MAPK1SLC1A2
Methyl Alcohol SCHEMBL7668985 0.90 CPB2 (0.51) CA2CA1CPB2MAPK1SLC1A2
SCHEMBL5491480 0.89 CA2 (0.57) CA2CA1CPB2MAPK1ALDH1A1
SCHEMBL5000143 0.88 CPB2 (0.47) CA2CA1CPB2ALDH1A1TDP1
Acetic Acid SCHEMBL3260364 0.87 CPB2 (0.49) CA2CA1CPB2SLC1A2SLC1A1
SCHEMBL21052329 0.87 CA2 (0.55) CA2CA1CPB2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL27486062 0.87 CA2 (0.55) CA2CA1CPB2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN disclosed
CN-111448182-A Aztreonam derivative and application thereof 阿里萨制药有限公司 2020-07-24 CN disclosed
CN-110662746-A Prodrugs of 3- ((((((2S,5R) -2-carbamoyl-7-oxo-1, 6-diazabicyclo [3.2.1] oct-6-yl) oxy) sulfonyl) oxy) -2, 2-dimethylpropionate derivatives and related compounds for oral administration as beta-lactamase inhibitors for treating bacterial infections 阿里萨制药有限公司 2020-01-07 CN disclosed
EP-1717276-B1 HETEROPOLYCYCLIC COMPOUND AND DYE UNIV KOCHI (JP) 2010-12-29 EP disclosed
US-7666659-B2 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2010-02-23 US disclosed
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2010-01-21 US disclosed
US-7408072-B2 Heteropolycyclic compound and dye KOCHI UNIVERSITY (JP) 2008-08-05 US disclosed
US-20070185338-A1 Benzo[c]carbazoles, benzo[b]naphthofurans, benzo[kl]xanthenes, and benzo[kl]acridines oxo- and tertiary amine-substituted; high luminescence intensities; heat resistance, light resistance, solubility, dispersibility in resist materials; emit light in solution and in solid state KOCHI UNIVERSITY (JP) 2007-08-09 US disclosed
EP-1717276-A1 HETEROPOLYCYCLIC COMPOUND AND DYE Kochi University (JP) 2006-11-02 EP disclosed
US-20060166342-A1 Process for producing optically active 3-hydroxypropionic ester derivative KANEKA CORPORATION (JP) 2006-07-27 US disclosed
EP-1568679-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE KANEKA CORPORATION (JP) 2005-08-31 EP 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 (2 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-20070185338-A1 Benzo[c]carbazoles, benzo[b]naphthofurans, benzo[kl]xanthenes, and benzo[kl]acridines oxo- and tertiary amine-substituted; high luminescence intensities; heat resistance, light resistance, solubility, dispersibility in resist materials; emit light in solution and in solid state ABCG2, IK, XDH CA2 2658/4885CA1 4085/4885CPB2 4595/4885
US-20100016627-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPROPIONIC ESTER DERIVATIVE HPD, GRHPR, PAH CA2 462/4885CA1 1796/4885CPB2 2368/4885

“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.