SCHEMBL5368039

SCHEMBL5368039

COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1S(=O)(=O)c1ccc(CCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5368056 0.90 CYP2C9 (0.35) CYP2C9KMT2AALDH1A1GAALMNA
SCHEMBL5370604 0.88 CYP2C9 (0.35) CYP2C9KMT2AALDH1A1GAA
SCHEMBL5364325 0.86 BRS3 (0.42) CYP2C9KMT2AALDH1A1GAALMNA
SCHEMBL5362262 0.84 CYP2C9 (0.34) CYP2C9KMT2AALDH1A1PAX8
SCHEMBL5368298 0.82 CYP2C9 (0.34) CYP2C9KMT2AALDH1A1PAX8
SCHEMBL5368635 0.81 CYP2C9 (0.39) CYP2C9KMT2AALDH1A1GAALMNA
SCHEMBL5370608 0.80 KMT2A (0.40) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5763035 0.80 CYP2C9 (0.39) CYP2C9KMT2AALDH1A1GAA
SCHEMBL5364335 0.80 BRS3 (0.43) CYP2C9KMT2AALDH1A1GAALMNA
Lithium Ion SCHEMBL5367188 0.78 CYP2C9 (0.38) CYP2C9KMT2AALDH1A1

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 CYP2C9 59/4885KMT2A 1672/4885ALDH1A1 1650/4885

“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.