SCHEMBL5364335

SCHEMBL5364335

COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1S(=O)(=O)c1ccc(CCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.43
CYP2C9 P11712 3/20 0.35
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
LMNA P02545 1/20 0.32
PAX8 Q06710 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
WDR5 P61964 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
DDAH1 O94760 1/20 0.30
ABCB11 O95342 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
SCHEMBL5364325 0.90 BRS3 (0.42) BRS3CYP2C9KMT2AALDH1A1GAA
SCHEMBL5368056 0.87 CYP2C9 (0.35) BRS3CYP2C9KMT2AALDH1A1GAA
SCHEMBL5369651 0.84 BRS3 (0.45) BRS3CYP2C9KMT2AALDH1A1GAA
SCHEMBL5370613 0.81 KMT2A (0.40) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5368039 0.80 CYP2C9 (0.33) CYP2C9KMT2AALDH1A1GAALMNA
SCHEMBL5367613 0.79 BRS3 (0.53) BRS3CYP2C9KMT2AALDH1A1CYP1A2
SCHEMBL5358488 0.77 BRS3 (0.51) BRS3CYP2C9KMT2AALDH1A1CYP1A2
SCHEMBL5446498 0.77 BRS3 (0.51) BRS3CYP2C9KMT2AALDH1A1GAA
SCHEMBL5358428 0.75 BRS3 (0.46) BRS3CYP2C9KMT2AALDH1A1CYP1A2
SCHEMBL5361986 0.75 CYP2C9 (0.39) BRS3CYP2C9KMT2AALDH1A1CYP1A2

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 BRS3 186/4885CYP2C9 59/4885KMT2A 1672/4885

“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.