SCHEMBL304835

SCHEMBL304835

CC(C)C(C(=O)O)=C(Cc1ccc(C(=O)O)cc1)C(=O)O.[Na].[Na].[Na]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
SRD5A2 P31213 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 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
SCHEMBL10193635 0.98 ALDH1A1 (0.47) ALDH1A1TAS2R14MAPK1KMT2ARXRA
SCHEMBL304833 0.97 ALDH1A1 (0.46) ALDH1A1TAS2R14MAPK1KMT2ARXRA
SCHEMBL305149 0.89 PLA2G10 (0.45) POLBMAPTRECQLTDP1L3MBTL1
SCHEMBL10193636 0.87 PLA2G10 (0.46) POLBMAPTRECQLTDP1L3MBTL1
SCHEMBL305147 0.86 PLA2G10 (0.45) POLBMAPTRECQLTDP1L3MBTL1
SCHEMBL304840 0.85 TSHR (0.47) KMT2AKDM4EMEN1POLBTSHR
SCHEMBL4602713 0.83 CA2 (0.50) POLB
SCHEMBL4602719 0.83 CA2 (0.50) POLB
SCHEMBL9709228 0.83 TSHR (0.49) KMT2AKDM4EMEN1POLBTSHR
SCHEMBL10193606 0.83 TSHR (0.49) KMT2AKDM4EMEN1POLBTSHR

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 9 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
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US 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
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 ALDH1A1 372/4885TAS2R14 4155/4885MAPK1 2838/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TAS2R14 4155/4885MAPK1 2838/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885TAS2R14 4587/4885MAPK1 3995/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TAS2R14 4041/4885MAPK1 2855/4885

“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.