SCHEMBL10074077

SCHEMBL10074077

CC(C)(C)OC(=O)n1cnc(CC(C=O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL3439705 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL13697504 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL21474286 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL29386828 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL29400729 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL23373989 0.87 MDM4 (0.42) CASP3BACE1MDM4TP53MDM2
SCHEMBL31382767 0.85 MDM4 (0.45) CASP3BACE1MDM4TP53MDM2
SCHEMBL18758112 0.83 CASP3 (0.46) CASP3MDM4TP53MDM2KMT2A
SCHEMBL31382825 0.83 MDM4 (0.46) BACE1MDM4TP53MDM2
SCHEMBL13354999 0.82 CTSK (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238697-B2 Polymeric materials and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 — — US disclosed
US-20140162943-A1 N-TERMINUS CONFORMATIONALLY CONSTRAINED GLP-1 RECEPTOR AGONIST COMPOUNDS ASTRAZENECA PHARMACEUTICALS, LP (US) 2014-06-12 — — US disclosed
US-8642544-B2 N-terminus conformationally constrained GLP-1 receptor agonist compounds AMYLIN PHARMACEUTICALS, LLC (US) 2014-02-04 — — US disclosed
US-20120046222-A1 N-TERMINUS CONFORMATIONALLY CONSTRAINED GLP-1 RECEPTOR AGONIST COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 2012-02-23 — — 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 (2 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-20140162943-A1 N-TERMINUS CONFORMATIONALLY CONSTRAINED GLP-1 RECEPTOR AGONIST COMPOUNDS GLP1R, GIPR, GCGR CASP3 1089/4885BACE1 162/4885MDM4 4816/4885
US-20120046222-A1 N-TERMINUS CONFORMATIONALLY CONSTRAINED GLP-1 RECEPTOR AGONIST COMPOUNDS GLP1R, GIPR, GCGR CASP3 1023/4885BACE1 195/4885MDM4 4808/4885

“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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