SCHEMBL5368047

SCHEMBL5368047

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(CCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 6/20 0.36
RORC P51449 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
FKBP1A P62942 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
WDR5 P61964 2/20 0.32
BRS3 P32247 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DDAH1 O94760 1/20 0.32
ABCB11 O95342 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5760319 0.91 CYP2C9 (0.38) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL5762846 0.91 CYP2C9 (0.35) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL5762088 0.88 CYP2C9 (0.36) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL14356342 0.88 PPARG (0.39) CYP2C9ALDH1A1KMT2AMEN1MAPT
SCHEMBL6531921 0.87 CYP2C9 (0.35) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL5370610 0.87 PPARG (0.39) CYP2C9ALDH1A1KMT2AMEN1MAPT
SCHEMBL5364331 0.87 BRS3 (0.40) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL7009636 0.87 CYP2C9 (0.44) CYP2C9ALDH1A1KMT2AMEN1MAPT
SCHEMBL5762114 0.86 CYP2C9 (0.37) CYP2C9ALDH1A1RORCKMT2AMEN1
SCHEMBL5763887 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1RORCKMT2AMEN1

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 7 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
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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 (4 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 92/4885ALDH1A1 397/4885RORC 2371/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885ALDH1A1 1650/4885RORC 1589/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885ALDH1A1 405/4885RORC 2193/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885ALDH1A1 494/4885RORC 2216/4885

“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.