SCHEMBL13061873

SCHEMBL13061873

COC(=O)n1c([S@@+]([O-])Cc2ncc(C)c(OC)c2C)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41
AGXT P21549 1/20 0.36
PDE10A Q9Y233 1/20 0.35
SHMT2 P34897 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
HSP90AA1 P07900 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
CNR2 P34972 1/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PSMD14 O00487 1/20 0.34
GAA P10253 1/20 0.34
ASAH1 Q13510 1/20 0.34
LMNA P02545 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL13061874 1.00 L3MBTL1 (0.42) L3MBTL1WDR5KMT2AAGXTPDE10A
SCHEMBL13011306 0.91 KMT2A (0.41) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL13203871 0.91 KMT2A (0.41) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL5197626 0.85 KMT2A (0.41) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL4958916 0.85 KMT2A (0.41) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL9446038 0.85 WDR5 (0.38) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL9708898 0.84 WDR5 (0.42) WDR5KMT2AAGXTPDE10ASHMT2
Water SCHEMBL4555319 0.83 KMT2A (0.40) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL9279388 0.83 KMT2A (0.40) WDR5KMT2AAGXTPDE10ASHMT2
SCHEMBL9812452 0.83 KMT2A (0.41) WDR5KMT2AAGXTPDE10ASHMT2

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-8563733-B2 Process for the preparation of esomeprazole and salts thereof APOTEX PHARMACHEM INC (CA) 2013-10-22 US disclosed
US-20100324298-A1 Novel Process for the Preparation of Esomeprazole and Salts Thereof APOTEX PHARMACHEM INC. (CA) 2010-12-23 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 (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-20100324298-A1 Novel Process for the Preparation of Esomeprazole and Salts Thereof ARSA, RPS28, RPL41 L3MBTL1 2858/4885WDR5 4246/4885KMT2A 4318/4885

“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.