SCHEMBL5058092

SCHEMBL5058092

CC(C)(C)OC(=O)NC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.51
MDM2 Q00987 1/20 0.51
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
KMT2A Q03164 2/20 0.48
IDO1 P14902 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL30185800 1.00 CASP3 (0.51) CASP3MDM2MDM4TP53KMT2A
SCHEMBL30185803 1.00 CASP3 (0.51) CASP3MDM2MDM4TP53KMT2A
SCHEMBL118016 0.90 KMT2A (0.57) CASP3MDM2MDM4TP53KMT2A
SCHEMBL30208674 0.90 KMT2A (0.57) CASP3MDM2MDM4TP53KMT2A
SCHEMBL24899351 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A
SCHEMBL20299865 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A
SCHEMBL30229458 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A
SCHEMBL20299866 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A
SCHEMBL31688935 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A
SCHEMBL30009709 0.86 CASP3 (0.48) CASP3MDM2MDM4TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-24 US disclosed
EP-4168121-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2023-04-26 EP disclosed
CN-115702026-A Macrocyclic compounds and methods of use thereof 基因泰克公司 2023-02-14 CN disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
EP-1799222-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2007-06-27 EP disclosed
WO-2006030323-A2 COMPOUNDS THAT INHIBIT REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS TRIPEP AB (SE) 2006-03-23 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 (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-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS CASP3 53/4885MDM2 685/4885MDM4 1699/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CASP3 2910/4885MDM2 917/4885MDM4 1166/4885

“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.