SCHEMBL12677569

SCHEMBL12677569

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ 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
SCHEMBL598209 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL29047045 0.91 MDM4 (0.49) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL29355082 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL29367497 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL119575 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL30802551 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL119565 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL29624621 0.91 MDM4 (0.56) MDM4TP53CASP3MDM2
SCHEMBL31385405 0.90 MDM4 (0.47) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL6987530 0.90 MDM4 (0.48) MDM4TP53CASP3KMT2AEPHX2

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-8273768-B2 Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-09-25 — — US disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 — — US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 — — 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST MDM4 4264/4885TP53 4431/4885CASP3 2701/4885

“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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