SCHEMBL7562335

SCHEMBL7562335

O=C(O)Cc1cccc(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ EYA2 O00167 1/20 0.45
▸ APP P05067 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7759713 0.86 MEP1B (0.51) AKR1B1TDP1EYA2APPACE
SCHEMBL2284795 0.83 TDP1 (0.56) AKR1B1TDP1EYA2APPACE
SCHEMBL7799512 0.83 MEP1B (0.62) MEP1BMEP1A
SCHEMBL7563686 0.82 CYP2C19 (0.42) AKR1B1CYP2C19LMNATSHRALOX15
SCHEMBL6674551 0.82 OPRK1 (0.55) DRD1DRD3MEP1BMEP1AGYS1
SCHEMBL7564337 0.81 TDP1 (0.58) AKR1B1TDP1EYA2APPACE
SCHEMBL2799777 0.81 TDP1 (0.52) AKR1B1TDP1EYA2APPACE
SCHEMBL8423257 0.81 OPRK1 (0.54) TDP1EYA2APPACEKDM4E
SCHEMBL8425195 0.79 TSHR (0.51) TDP1EYA2APPACEKDM4E
SCHEMBL17714023 0.79 OPRK1 (0.60) DRD3MEP1B

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
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 — — US disclosed
EP-1163247-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2001-12-19 — — EP disclosed
WO-2000056743-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2000-09-28 — — 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-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 AKR1B1 1932/4885TDP1 3584/4885EYA2 914/4885

“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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