SCHEMBL304845

SCHEMBL304845

CCOC(=O)C(Cc1ccc(C(=O)O)cc1)=C(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL304342 0.90 PARP10 (0.40) ALDH1A1MAPTKMT2AMEN1
SCHEMBL304961 0.88 CA2 (0.41) SMN1; SMN2KMT2AMEN1POLB
SCHEMBL305321 0.84 KMT2A (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL10193635 0.84 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL304833 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL304835 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1RXRARXRB
SCHEMBL305802 0.81 SMN1; SMN2 (0.32) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL304365 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL304236 0.80 L3MBTL1 (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL304846 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1RXRARXRB

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 6 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-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 (3 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 372/4885MAPT 2687/4885MAPK1 2838/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885MAPT 2687/4885MAPK1 2838/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885MAPT 2972/4885MAPK1 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.