SCHEMBL14587496

SCHEMBL14587496

CCOC(=O)C(C)(C)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10407035 0.83 ALDH1A1 (0.54) CYP1A2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL9143592 0.83 ALDH1A1 (0.41) CA12CA9CYP1A2ALDH1A1CYP2C9
SCHEMBL10542563 0.83 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP2C9KMT2AGAA
SCHEMBL10548122 0.82 ALDH1A1 (0.38) CYP1A2ALDH1A1CYP2C9KMT2AGAA
SCHEMBL10851006 0.81 ALDH1A1 (0.40) CA12CA9CYP1A2ALDH1A1CYP2C9
SCHEMBL30660870 0.81 ALDH1A1 (0.40) CA12CA9CYP1A2ALDH1A1CYP2C9
SCHEMBL29565442 0.79 ALDH1A1 (0.46) CA12CA9CYP1A2PPARAALDH1A1
SCHEMBL9425523 0.79 ALDH1A1 (0.46) CA12CA9CYP1A2PPARAALDH1A1
SCHEMBL9669589 0.78 ALDH1A1 (0.41) CA12CA9CYP1A2ALDH1A1CYP2C9
SCHEMBL14698753 0.78 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP2C9KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 — — US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 — — US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 — — US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 — — US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 — — US disclosed
EP-2806873-B1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO KG (DE) 2016-06-15 — — EP disclosed
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2015-02-12 — — US disclosed
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2015-02-12 — — US disclosed
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2015-02-12 — — US disclosed
WO-2013110643-A1 AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2013-08-01 — — WO disclosed
US-7183238-B2 [1,2]-oxazine-3,5-diones BAYER CROPSCIENCE AG (DE) 2007-02-27 — — US disclosed
US-7183238-B2 [1,2]-oxazine-3,5-diones BAYER CROPSCIENCE AG (DE) 2007-02-27 — — 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 (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-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM CA12 4178/4885CA2 4576/4885CA9 3026/4885
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM CA12 4178/4885CA2 4576/4885CA9 3026/4885

“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.

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