SCHEMBL304592

SCHEMBL304592

O=C(O)C(CCc1ccccc1)=C(CCc1ccccc1)C(=O)O.[Na].[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
ALDH1A1 P00352 2/20 0.59
FFAR1 O14842 2/20 0.59
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
HDAC1 Q13547 5/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.52

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
SCHEMBL10193600 0.98 KEAP1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL9860381 0.98 KEAP1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL9860389 0.98 KEAP1 (0.67) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL304590 0.95 KEAP1 (0.64) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL304769 0.92 KEAP1 (0.55) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL10193598 0.90 KEAP1 (0.57) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL304767 0.88 KEAP1 (0.55) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL21598322 0.85 ALDH1A1 (0.64) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL3884742 0.84 HDAC1 (0.69) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL3884738 0.84 HDAC1 (0.69) KEAP1ALDH1A1FFAR1HDAC2HDAC8

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 KEAP1 1337/4885ALDH1A1 372/4885FFAR1 3929/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA KEAP1 1337/4885ALDH1A1 372/4885FFAR1 3929/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA KEAP1 1482/4885ALDH1A1 461/4885FFAR1 3969/4885

“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.