SCHEMBL21403417

SCHEMBL21403417

C=CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PIN1 Q13526 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ MDM2 Q00987 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
SCHEMBL21416122 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL25717715 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL21403415 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL29402082 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL25717723 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL25717714 1.00 CASP3 (0.54) CASP3MDM4TP53KMT2APIN1
SCHEMBL13227980 0.88 CASP3 (0.51) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL120703 0.88 CASP3 (0.60) CASP3MDM4TP53KMT2APIN1
SCHEMBL30307097 0.88 CASP3 (0.60) CASP3MDM4TP53KMT2APIN1
SCHEMBL799720 0.88 CASP3 (0.60) CASP3MDM4TP53KMT2APIN1

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
CN-112585116-B Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof 海德堡医药研究有限责任公司 2024-05-14 — — CN disclosed
US-11584708-B2 Synthesis of (2S,3R,4R)-4,5-dihydroxyisoleucine and derivatives HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-02-21 — — US disclosed
US-20220298204-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES PURE BIOORGANICS SIA (LV) 2022-09-22 — — US disclosed
EP-3994146-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES Pure Bioorganics SIA (LV) 2022-05-11 — — EP disclosed
CN-114080395-A Synthesis method of alpha-amanitine and derivatives thereof 纯生物有机有限公司 2022-02-22 — — CN disclosed
CN-112585116-A Synthesis of (2S, 3R, 4R) -4, 5-dihydroxyisoleucine and derivatives thereof 海德堡医药研究有限责任公司 2021-03-30 — — CN disclosed
EP-3792250-A1 SYNTHESIS OF ALPHA-AMANITIN AND ITS DERIVATIVES Pure Bioorganics SIA (LV) 2021-03-17 — — EP disclosed
EP-3774721-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES Heidelberg Pharma Research GmbH (DE) 2021-02-17 — — EP disclosed
WO-2021004973-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES PURE BIOORGANICS SIA (LV) 2021-01-14 — — WO disclosed
US-20210009507-A1 Synthesis of (2S,3R,4R)-4,5-Dihydroxyisoleucine and Derivatives HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-01-14 — — US disclosed
WO-2019185877-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-10-03 — — WO disclosed
EP-3546447-A1 SYNTHESIS OF (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE AND DERIVATIVES Heidelberg Pharma GmbH (DE) 2019-10-02 — — EP 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 (3 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-20210009507-A1 Synthesis of (2S,3R,4R)-4,5-Dihydroxyisoleucine and Derivatives AGL, GLUL, DAO CASP3 3057/4885MDM4 3837/4885TP53 4830/4885
US-20220298204-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES MEP1A, MEP1B, MANBA CASP3 3777/4885MDM4 1987/4885TP53 1452/4885
US-11584708-B2 Synthesis of (2S,3R,4R)-4,5-dihydroxyisoleucine and derivatives AGL, GLUL, DAO CASP3 3057/4885MDM4 3837/4885TP53 4830/4885

“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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