SCHEMBL14850692

SCHEMBL14850692

CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
CTSK P43235 6/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL14850855 1.00 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850864 0.99 ITGB3 (0.46) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850788 0.94 ITGB3 (0.45) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435346 0.93 CTSS (0.45) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850693 0.88 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL556760 0.87 CTSK (0.44) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL29990568 0.86 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850695 0.86 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435378 0.86 CTSK (0.48) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435379 0.86 PREP (0.48) ITGB3ITGA2BCTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038493-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES PHARMAMENS (FR) 2015-02-05 US disclosed
WO-2013050721-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES PHARMAMENS (FR) 2013-04-11 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 (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-20150038493-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES AOX1, TYR, HAO1 ITGB3 2058/4885ITGA2B 2271/4885CTSK 1558/4885

“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.