SCHEMBL10193658

SCHEMBL10193658

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
CYP19A1 P11511 1/20 0.41
MAPK1 P28482 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL304937 0.99 LTA4H (0.43) LTA4HITGB3ITGA2BCYP19A1MAPK1
SCHEMBL304935 0.99 LTA4H (0.43) LTA4HITGB3ITGA2BCYP19A1MAPK1
SCHEMBL304365 0.88 ALDH1A1 (0.40) LTA4HITGB3ITGA2BCYP19A1KDM4E
SCHEMBL10193656 0.84 LMNA (0.42) CYP19A1POLBKDM4ECYP1A2LMNA
SCHEMBL304932 0.83 ALDH1A1 (0.49) MAPK1POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL304933 0.83 ALDH1A1 (0.49) MAPK1POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL305234 0.83 LMNA (0.41) CYP19A1POLBKDM4ECYP1A2LMNA
SCHEMBL305232 0.83 LMNA (0.41) CYP19A1POLBKDM4ECYP1A2LMNA
SCHEMBL10193670 0.82 ALDH1A1 (0.41) MAPK1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL304364 0.82 KDM4E (0.41) LTA4HITGB3ITGA2BPOLBKDM4E

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 7 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
WO-2013015388-A1 NDM INHIBITOR Meiji Seikaファルマ株式会社 (JP) 2013-01-31 WO 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-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 LTA4H 803/4885ITGB3 4794/4885ITGA2B 3950/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 LTA4H 639/4885ITGB3 4710/4885ITGA2B 4281/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA LTA4H 842/4885ITGB3 4801/4885ITGA2B 3649/4885

“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.