SCHEMBL305222

SCHEMBL305222

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
FFAR3 O14843 3/20 0.53
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
THRB P10828 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.41
AKR1B1 P15121 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
GPR84 Q9NQS5 5/20 0.38
HDAC11 Q96DB2 5/20 0.38

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
SCHEMBL554602 0.97 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL184432 0.97 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL554603 0.97 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL305220 0.94 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5611368 0.88 FFAR3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5611361 0.88 FFAR3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL7107841 0.88 FFAR3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1563512 0.85 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL12026335 0.84 FNTA (0.54) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28284834 0.84 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3

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 HDAC3 3182/4885HDAC1 648/4885HDAC2 1740/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA HDAC3 3182/4885HDAC1 648/4885HDAC2 1740/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA HDAC3 3187/4885HDAC1 699/4885HDAC2 1677/4885

“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.