SCHEMBL305664

SCHEMBL305664

CCC(C(=O)O)=C(Cc1ccc(O)cc1)C(=O)O.[Na].[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
CAMK2A Q9UQM7 1/20 0.53
CTBP2 P56545 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
BLM P54132 1/20 0.40
SHBG P04278 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC7A5 Q01650 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10193595 0.98 CA2 (0.55) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL305662 0.96 CA2 (0.53) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL305659 0.85 CES1 (0.50) CTBP2FNTAFNTBALDH1A1HPGD
SCHEMBL9856517 0.82 CES1 (0.52) CTBP2FNTAFNTBALDH1A1HPGD
SCHEMBL305657 0.81 CES1 (0.50) CTBP2FNTAFNTBALDH1A1HPGD
SCHEMBL9159300 0.79 CA2 (0.55) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL305663 0.76 FNTA (0.47) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL15751242 0.76 FNTA (0.47) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL4602713 0.75 CA2 (0.50) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL4602719 0.75 CA2 (0.50) CA2CAMK2ACTBP2FNTAFNTB

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 CA2 313/4885CAMK2A 1272/4885CTBP2 4046/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA2 313/4885CAMK2A 1272/4885CTBP2 4046/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA2 355/4885CAMK2A 1253/4885CTBP2 3605/4885

“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.