SCHEMBL304932

SCHEMBL304932

CC(C)/C(C(=O)O)=C(\Cc1ccc(OCC(=O)O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
PLA2G4B P0C869 1/20 0.43
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
PTPN7 P35236 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN12 Q05209 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL304933 1.00 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPTALOX15
SCHEMBL10193656 0.89 LMNA (0.42) TSHRMAPTPLA2G4BPOLBLMNA
SCHEMBL305232 0.88 LMNA (0.41) TSHRMAPTPLA2G4BPOLBLMNA
SCHEMBL305608 0.88 ADRB2 (0.40) ALDH1A1TSHRMAPTMAPK1PLA2G4B
SCHEMBL305609 0.88 ADRB2 (0.40) ALDH1A1TSHRMAPTMAPK1PLA2G4B
SCHEMBL305234 0.88 LMNA (0.41) TSHRMAPTPLA2G4BPOLBLMNA
SCHEMBL10193644 0.84 CTBP2 (0.53) ALDH1A1SMN1; SMN2POLB
SCHEMBL10193658 0.83 LTA4H (0.44) ALDH1A1SMN1; SMN2MAPK1POLBLMNA
SCHEMBL304492 0.82 CTBP2 (0.51) ALDH1A1SMN1; SMN2POLB
SCHEMBL304490 0.82 CTBP2 (0.51) ALDH1A1SMN1; SMN2POLB

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
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
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
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
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
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 372/4885TSHR 4198/4885SMN1; SMN2 2666/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TSHR 4198/4885SMN1; SMN2 2666/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885TSHR 4034/4885SMN1; SMN2 2525/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TSHR 4147/4885SMN1; SMN2 2687/4885

“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.