SCHEMBL304061

SCHEMBL304061

CC/C(C(=O)O)=C(\CC)C(=O)O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.50
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GRIK1 P39086 2/20 0.41
GRIA4 P48058 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIK5 Q16478 1/20 0.41
THRB P10828 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SOAT1 P35610 1/20 0.32
TSHR P16473 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL42601 0.96 FFAR3 (0.53) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL101165 0.96 FFAR3 (0.53) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL42603 0.96 FFAR3 (0.53) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL305428 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL27684567 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
Potassium SCHEMBL305430 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL2139834 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
SCHEMBL304063 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
Hydrochloric Acid SCHEMBL9622192 0.93 FFAR3 (0.50) FFAR3TDP1ALDH1A1GRIK1GRIA4
Alcohol SCHEMBL9854481 0.87 FFAR3 (0.44) FFAR3TDP1ALDH1A1GRIK1GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
EP-3020415-A1 Thiol compounds for use in bacterial infections Université de Fribourg (CH) 2016-05-18 EP disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
EP-2737900-A1 NDM INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2014-06-04 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 US disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 CN disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-20120064557-A1 METHOD OF IDENTIFYING METALLO-BETA-LACTAMASE-PRODUCING BACTERIA MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-03-15 US disclosed
EP-2415875-A1 METHOD FOR IDENTIFICATION OF METALLO- B -LACTAMASE-PRODUCING BACTERIUM Meiji Seika Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (4 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA FFAR3 4843/4885TDP1 2860/4885ALDH1A1 372/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA FFAR3 4843/4885TDP1 2860/4885ALDH1A1 372/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 FFAR3 4695/4885TDP1 2124/4885ALDH1A1 342/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA FFAR3 4849/4885TDP1 3098/4885ALDH1A1 461/4885

“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.