SCHEMBL5368037

SCHEMBL5368037

COc1ccc2c(c1)=NC([S+]([O-])Cc1ncc(C)c(OC)c1C)(S(=O)(=O)c1ccc(CCC(=O)OCCS(=O)(=O)c3ccc(C)cc3)cc1)N=2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5370623 0.82 MAPK1 (0.39) ALDH1A1CYP2C9L3MBTL1LMNAMAPT
SCHEMBL5368047 0.81 CYP2C9 (0.36) ALDH1A1CYP2C9L3MBTL1LMNAMAPT
SCHEMBL5366904 0.78 CYP2C9 (0.36) ALDH1A1CYP2C9MAPTKMT2A
SCHEMBL5367178 0.78 CYP2C9 (0.36) ALDH1A1CYP2C9MAPTKMT2A
SCHEMBL5364331 0.75 BRS3 (0.40) ALDH1A1CYP2C9L3MBTL1LMNAMAPT
SCHEMBL5762846 0.73 CYP2C9 (0.35) ALDH1A1CYP2C9MAPTKMT2A
SCHEMBL5763887 0.72 CYP2C9 (0.36) ALDH1A1CYP2C9MAPTKMT2A
SCHEMBL5760319 0.71 CYP2C9 (0.38) ALDH1A1CYP2C9LMNAMAPTKMT2A
SCHEMBL5368056 0.71 CYP2C9 (0.35) ALDH1A1CYP2C9L3MBTL1LMNAMAPT
SCHEMBL5368039 0.71 CYP2C9 (0.33) ALDH1A1CYP2C9L3MBTL1LMNAKMT2A

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 ALDH1A1 1650/4885CYP2C9 59/4885L3MBTL1 4478/4885

“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.