SCHEMBL22009663

SCHEMBL22009663

O=C(O)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
EPOR P19235 1/20 0.34
FOLH1 Q04609 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL10798415 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL10798379 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL1707477 0.98 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL22313 0.98 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL4998055 0.88 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6EYA2APP
Aspartic Acid SCHEMBL8102063 0.88 GRIK1 (0.38)
SCHEMBL20963082 0.87 TDP1 (0.34) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL16641275 0.83 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6EYA2APP
SCHEMBL1548147 0.82 TDP1 (0.32) TDP1SMN1; SMN2EYA2APPACE
SCHEMBL19157439 0.82 TDP1 (0.32) TDP1SMN1; SMN2EYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676700-B2 Mixtures of chelating agents, and process for making such mixtures BASF SE (DE) 2020-06-09 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 (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-10676700-B2 Mixtures of chelating agents, and process for making such mixtures SLC6A9, DGKI, SLC6A5 TDP1 3453/4885SMN1; SMN2 4817/4885SLC22A6 1284/4885

“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.