SCHEMBL21403410

SCHEMBL21403410

C[C@@H](C(O)CO)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL31098371 1.00 CASP3 (0.45) CASP3KMT2APIN1MDM4TP53
SCHEMBL21432488 1.00 CASP3 (0.45) CASP3KMT2APIN1MDM4TP53
SCHEMBL21416088 1.00 CASP3 (0.45) CASP3KMT2APIN1MDM4TP53
SCHEMBL21403411 1.00 CASP3 (0.45) CASP3KMT2APIN1MDM4TP53
SCHEMBL29403817 1.00 CASP3 (0.45) CASP3KMT2APIN1MDM4TP53
SCHEMBL28522099 0.88 CASP3 (0.48) CASP3KMT2APIN1MDM4TP53
SCHEMBL8210873 0.88 CASP3 (0.48) CASP3KMT2APIN1MDM4TP53
SCHEMBL30883312 0.87 CASP3 (0.50) CASP3KMT2APIN1MDM4TP53
SCHEMBL29402992 0.87 CASP3 (0.50) CASP3KMT2APIN1MDM4TP53
SCHEMBL19944056 0.84 CASP3 (0.53) CASP3KMT2APIN1MDM4TP53

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 8 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-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
WO-2021004973-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES PURE BIOORGANICS SIA (LV) 2021-01-14 — — 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 (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-20220298204-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES MEP1A, MEP1B, MANBA CASP3 3777/4885KMT2A 2218/4885PIN1 2126/4885

“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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