SCHEMBL13890402

SCHEMBL13890402

CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)NCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ EPOR P19235 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FOLH1 Q04609 5/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38

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
SCHEMBL13890403 1.00 MEN1 (0.55) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13890398 0.99 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13625013 0.99 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13881694 0.99 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13890399 0.99 MEN1 (0.56) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13890401 0.97 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL13890400 0.97 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL14012102 0.95 MEN1 (0.60) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL14012034 0.95 MEN1 (0.60) MEN1ALDH1A1HPGDKMT2AEPOR
SCHEMBL16572489 0.95 MEN1 (0.60) MEN1ALDH1A1HPGDKMT2AEPOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258190-B2 Encapsulated contrast agents INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-04 — — US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 — — 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-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 MEN1 161/4885ALDH1A1 3588/4885HPGD 2385/4885

“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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