SCHEMBL3626375

SCHEMBL3626375

C[C@H]1CN([C@H](c2cc(F)c(F)c(F)c2)[C@@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31

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
SCHEMBL4327758 1.00 KEAP1 (0.31) KEAP1NFE2L2SMYD2
SCHEMBL3621050 0.84 SMYD2 (0.31) SMYD2
SCHEMBL3621048 0.84 SMYD2 (0.31) SMYD2
SCHEMBL4089186 0.84 SMYD2 (0.31) SMYD2
SCHEMBL4093529 0.83 KDM4E (0.32) SMYD2
SCHEMBL4082948 0.77 SMYD2 (0.33) SMYD2
SCHEMBL4328118 0.76 HSD11B1 (0.33) KEAP1NFE2L2SMYD2
SCHEMBL4328114 0.76 HSD11B1 (0.33) KEAP1NFE2L2SMYD2
SCHEMBL4058932 0.75 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL4058931 0.75 KEAP1 (0.32) KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
US-20090203781-A1 N-N-Acyloxypropyl Lysine Methyl Ester-and N,N-Bis(N-Acyloxypropyl) Lysine Methyl Ester-Type Compounds and Use Thereof as Surface-Active Agents with an Antimicrobial Activity CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICSA (ES) 2009-08-13 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1813600-A1 N-N-ACYLOXYPROPYL LYSINE METHYL ESTER- AND N,N-BIS(N- ACYLOXYPROPYL)LYSINE METHYL ESTER-TYPE COMPOUNDS AND USE THEREOF AS SURFACE-ACTIVE AGENTS WITH AN ANTIMICROBIAL ACTIVITY Consejo Superior de Investigaciones Cientificas (ES) 2007-08-01 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (4 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 KEAP1 217/4885NFE2L2 418/4885SMYD2 3033/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 KEAP1 954/4885NFE2L2 2810/4885SMYD2 3568/4885
US-20090203781-A1 N-N-Acyloxypropyl Lysine Methyl Ester-and N,N-Bis(N-Acyloxypropyl) Lysine Methyl Ester-Type Compounds and Use Thereof as Surface-Active Agents with an Antimicrobial Activity APEH, CUTA, NAAA KEAP1 4027/4885NFE2L2 4029/4885SMYD2 165/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 KEAP1 520/4885NFE2L2 1925/4885SMYD2 3006/4885

“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.