SCHEMBL304636

SCHEMBL304636

CC(C(=O)O)=C(Cc1ccccc1)C(=O)O.[Na].[Na]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
CTBP2 P56545 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
PAM P19021 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL166471 0.98 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL27743699 0.98 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304634 0.96 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL28031022 0.88 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304073 0.85 CES1 (0.61) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL28787617 0.85 CES1 (0.47) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL11109782 0.83 CES1 (0.54) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516505 0.83 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516498 0.83 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL384894 0.83 CES1 (0.64) CES1CES2AKR1B1CTBP2ALDH1A1

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 CES1 206/4885CES2 400/4885AKR1B1 2040/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CES1 206/4885CES2 400/4885AKR1B1 2040/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CES1 240/4885CES2 401/4885AKR1B1 1812/4885

“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.