Edetic Acid

Edetic Acid

SCHEMBL21113636

NC(CC(=O)O)(CC(=O)O)C(N)(CC(=O)O)CC(=O)O.O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Edetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 1/20 0.50
CA1 known ✓ P00915 16/20 0.41
CA2 known ✓ P00918 16/20 0.41
CA4 known ✓ P22748 6/20 0.41
CA12 known ✓ O43570 3/20 0.34
TDP1 Q9NUW8 2/20 0.50
EYA2 O00167 1/20 0.50
APP P05067 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
TSHR P16473 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48

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 SCHEMBL9193928 0.95 KDM4E (0.50) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL6284520 0.93 TDP1 (0.50) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL167680 0.89 TDP1 (0.64) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL8371874 0.87 TDP1 (0.61) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL6347093 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL5697081 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL887881 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL59899 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL7870390 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E
Edetic Acid SCHEMBL5305791 0.84 TDP1 (0.70) TDP1EYA2APPACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293508-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES JPMORGAN CHASE BANK, N.A. 2023-09-21 US claimed
US-11654139-B2 Anti-infective methods, compositions, and devices BAUSCH HEALTH IRELAND LIMITED (IE) 2023-05-23 US claimed
US-20210023069-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES JPMORGAN CHASE BANK, N.A. 2021-01-28 US claimed
US-10828293-B2 Anti-infective methods, compositions, and devices DOW PHARMACEUTICAL SCIENCES, INC. (US) 2020-11-10 US claimed
US-20190209543-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES JPMORGAN CHASE BANK, N.A. 2019-07-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190209543-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES ETF1, POLR1C, PIK3C3 ACE 662/4885CA1 1733/4885CA2 1162/4885
US-11654139-B2 Anti-infective methods, compositions, and devices ETF1, POLR1C, PIK3C3 ACE 662/4885CA1 1733/4885CA2 1162/4885
US-10828293-B2 Anti-infective methods, compositions, and devices ETF1, POLR1C, PIK3C3 ACE 662/4885CA1 1733/4885CA2 1162/4885
US-20230293508-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES ETF1, POLR1C, PIK3C3 ACE 662/4885CA1 1733/4885CA2 1162/4885
US-20210023069-A1 ANTI-INFECTIVE METHODS, COMPOSITIONS, AND DEVICES ETF1, POLR1C, PIK3C3 ACE 662/4885CA1 1733/4885CA2 1162/4885

“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.