SCHEMBL306155

SCHEMBL306155

CCC(C(=O)O)=C(C)C(O)=S.[Na].[Na]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
THRB P10828 1/20 0.38
PGGT1B P53609 1/20 0.38
FFAR3 O14843 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIK1 P39086 2/20 0.32
GRIA4 P48058 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32

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
SCHEMBL304617 0.82 FNTA (0.52) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL164727 0.79 FNTA (0.54) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL554290 0.79 FNTA (0.54) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL554287 0.79 FNTA (0.54) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL304615 0.77 FNTA (0.52) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL30198647 0.77 FNTA (0.41) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL304063 0.76 FFAR3 (0.50) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL1556595 0.73 FNTA (0.39) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL101165 0.73 FFAR3 (0.53) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL42601 0.73 FFAR3 (0.53) FNTAFNTBTHRBPGGT1BFFAR3

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 FNTA 1564/4885FNTB 278/4885THRB 2140/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA FNTA 1564/4885FNTB 278/4885THRB 2140/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA FNTA 1700/4885FNTB 210/4885THRB 1761/4885

“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.