SCHEMBL433727

SCHEMBL433727

CC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CASP3 P42574 4/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ EPHX2 P34913 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
SCHEMBL118262 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL433723 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL30810331 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31292035 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL142700 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL29364084 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL29401487 0.93 MDM4 (0.51) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31291854 0.92 MDM4 (0.48) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL12494989 0.83 KMT2A (0.49) MDM4TP53CASP3KMT2A
SCHEMBL12494990 0.83 KMT2A (0.49) MDM4TP53CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 MDM4 798/4885TP53 921/4885CASP3 4657/4885

“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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