SCHEMBL304365

SCHEMBL304365

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LTA4H P09960 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CYP19A1 P11511 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TP53 P04637 1/20 0.37
TBXAS1 P24557 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL10193658 0.88 LTA4H (0.44) ALDH1A1LTA4HSMN1; SMN2KDM4ECYP1A2
SCHEMBL304935 0.87 LTA4H (0.43) ALDH1A1LTA4HSMN1; SMN2KDM4ECYP1A2
SCHEMBL304937 0.87 LTA4H (0.43) ALDH1A1LTA4HSMN1; SMN2KDM4ECYP1A2
SCHEMBL304236 0.86 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2LMNA
SCHEMBL304961 0.81 CA2 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL304366 0.81 KDM4E (0.41) ALDH1A1LTA4HSMN1; SMN2KDM4ECYP1A2
SCHEMBL304364 0.81 KDM4E (0.41) ALDH1A1LTA4HSMN1; SMN2KDM4ECYP1A2
SCHEMBL304342 0.81 PARP10 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL304845 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHIF1AMEN1
SCHEMBL305613 0.80 TBXAS1 (0.67) ALDH1A1LTA4HSMN1; SMN2KDM4ELMNA

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 372/4885LTA4H 803/4885SMN1; SMN2 2666/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885LTA4H 803/4885SMN1; SMN2 2666/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885LTA4H 842/4885SMN1; 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.