SCHEMBL786554

SCHEMBL786554

O=C(O)CC(NC(CC(=O)O)C(=O)O)C(=O)O.[CaH2].[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
MME P08473 4/20 0.39
FOLH1 Q04609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TGFBR1 P36897 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
SCHEMBL28203578 0.97 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL786600 0.97 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL786630 0.97 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL28657823 0.97 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL2916092 0.95 CA2 (0.48) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL22019 0.95 CA2 (0.48) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL2910640 0.95 CA2 (0.48) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL1457564 0.95 CA2 (0.48) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL3055923 0.92 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6
SCHEMBL9983146 0.92 CA2 (0.47) CA2CA4TDP1SMN1; SMN2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389353-B1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LTD (GB) 2017-03-08 EP claimed
US-8801962-B2 Chelating agents and methods relating thereto INNOSPEC LIMITED (GB) 2014-08-12 US claimed
US-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2012-03-22 US claimed
EP-2389353-A1 CHELATING AGENTS AND METHODS RELATING THERETO Innospec Limited (GB) 2011-11-30 EP claimed
US-8039831-B2 Electronic device containing semiconductor polymers and corresponding manufacturing process MICRON TECHNOLOGY, INC. 2011-10-18 US claimed
WO-2010084351-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2010-07-29 WO claimed
EP-2389353-B1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LTD (GB) 2017-03-08 EP disclosed
US-8801962-B2 Chelating agents and methods relating thereto INNOSPEC LIMITED (GB) 2014-08-12 US disclosed
US-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2012-03-22 US disclosed
EP-2389353-A1 CHELATING AGENTS AND METHODS RELATING THERETO Innospec Limited (GB) 2011-11-30 EP disclosed
US-8039831-B2 Electronic device containing semiconductor polymers and corresponding manufacturing process MICRON TECHNOLOGY, INC. 2011-10-18 US disclosed
WO-2010084351-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2010-07-29 WO 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-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO SLC30A5, AOC1, SLC25A13 CA2 5/4885CA4 26/4885TDP1 1286/4885

“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.