SCHEMBL29824847

SCHEMBL29824847

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CASP3 P42574 3/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CASP1 P29466 2/20 0.45

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
SCHEMBL28215462 1.00 MDM4 (0.48) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL3421848 1.00 MDM4 (0.48) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL31000608 1.00 MDM4 (0.48) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL13908450 0.90 KMT2A (0.52) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL21764273 0.90 MDM4 (0.47) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL29532800 0.90 MDM4 (0.47) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL26008669 0.90 KMT2A (0.52) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL31307731 0.90 KMT2A (0.52) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL31000515 0.90 MDM4 (0.47) MDM4TP53CASP3EPHX2KMT2A
SCHEMBL21785029 0.89 HDAC1 (0.46) MDM4TP53CASP3EPHX2KMT2A

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-20240140991-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES UNIV BELFAST (GB) 2024-05-02 — — US disclosed
EP-4284816-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES The Queen's University of Belfast (GB) 2023-12-06 — — EP disclosed
WO-2022162332-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2022-08-04 — — 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-20240140991-A1 ANTIBIOTIC NATURAL PRODUCT ANALOGUES NRDC, RPS14, SCN11A MDM4 4676/4885TP53 4057/4885CASP3 2372/4885

“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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