SCHEMBL13011306

SCHEMBL13011306

COc1c(C)cnc(C[S@+]([O-])c2nc3ccccc3n2C(C)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
WDR5 P61964 2/20 0.41
PDE10A Q9Y233 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
AGXT P21549 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 6/20 0.35
TRAP1 Q12931 2/20 0.35
HSP90AB1 P08238 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
SHMT2 P34897 1/20 0.35
HSP90B1 P14625 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH3A1 P30838 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DDAH1 O94760 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
SCHEMBL13203871 1.00 KMT2A (0.41) KMT2AWDR5PDE10ACYP1A2CYP3A4
SCHEMBL13061874 0.91 L3MBTL1 (0.42) KMT2AWDR5PDE10AAGXTHPGD
SCHEMBL13061873 0.91 L3MBTL1 (0.42) KMT2AWDR5PDE10AAGXTHPGD
SCHEMBL5197626 0.86 KMT2A (0.41) KMT2AWDR5PDE10ACYP1A2CYP3A4
SCHEMBL4958916 0.86 KMT2A (0.41) KMT2AWDR5PDE10ACYP1A2CYP3A4
SCHEMBL9446038 0.86 WDR5 (0.38) KMT2AWDR5PDE10ACYP1A2CYP3A4
SCHEMBL9709017 0.85 KMT2A (0.39) KMT2AWDR5PDE10AAGXTHPGD
SCHEMBL9708898 0.85 WDR5 (0.42) KMT2AWDR5PDE10AAGXTHSP90AA1
SCHEMBL10720384 0.84 KMT2A (0.38) KMT2AWDR5PDE10AAGXTHPGD
Water SCHEMBL4555319 0.84 KMT2A (0.40) KMT2AWDR5PDE10ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324298-A1 Novel Process for the Preparation of Esomeprazole and Salts Thereof APOTEX PHARMACHEM INC. (CA) 2010-12-23 US disclosed
US-7786309-B2 Process for the preparation of esomeprazole and salts thereof APOTEX PHARMACHEM INC. (CA) 2010-08-31 US disclosed
US-20070287839-A1 Novel process for the preparation of esomeprazole and salts thereof APOTEX PHARMACHEM INC. 2007-12-13 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-20070287839-A1 Novel process for the preparation of esomeprazole and salts thereof ARSA, RPS28, RPL41 KMT2A 4318/4885WDR5 4246/4885PDE10A 2346/4885
US-20100324298-A1 Novel Process for the Preparation of Esomeprazole and Salts Thereof ARSA, RPS28, RPL41 KMT2A 4318/4885WDR5 4246/4885PDE10A 2346/4885

“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.