Edetic Acid

Edetic Acid

SCHEMBL7586652

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.S=C=NCc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 10/20 0.62
▸ TRPA1 O75762 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.44
▸ EYA2 O00167 1/20 0.44
▸ APP P05067 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
Edetic Acid SCHEMBL9750195 0.81 TRPA1 (0.39) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28948292 0.80 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL27767110 0.80 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL27789925 0.79 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL44145 0.79 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
Cadaverine Tartrate SCHEMBL14698352 0.79 MIF (0.69) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL11877620 0.78 MIF (0.80) MIFTRPA1ALDH1A1CYP3A4HPGD
Edetic Acid SCHEMBL5162768 0.78 MIF (0.57) MIFTDP1EYA2APPACE
Benzyl Isothiocyanate SCHEMBL2143472 0.77 MIF (0.95) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28130423 0.77 MIF (0.95) MIFTRPA1ALDH1A1CYP3A4HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001434-A — — None — — JP disclosed
US-20020072625-A1 Materials and methods for measuring chelate: anti-chelate binding by fluorescence polarization immunoassay JOHNSON DAVID KENNETH (US) 2002-06-13 — — US disclosed
JP-H021434-A IMPROVEMENT OF HAPTEN USEFUL FOR IMAGE SUBSTANCE AND THERAPEUTIC SUBSTANCE HYBRITECH INC 1990-01-05 — — JP 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 (1 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-20020072625-A1 Materials and methods for measuring chelate: anti-chelate binding by fluorescence polarization immunoassay SLC30A5, CD63, CACYBP MIF 50/4885TRPA1 4546/4885ALDH1A1 3645/4885

“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.

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