SCHEMBL5361855

SCHEMBL5361855

COC(=O)C(C)(C)COc1cc(C)c(S(=O)(=O)Cl)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
DGAT1 O75907 5/20 0.35
OGG1 O15527 1/20 0.35
HPGD P15428 2/20 0.34
DYRK1A Q13627 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
CNR2 P34972 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL14356230 0.77 CYP2C9 (0.43) CYP2C9DGAT1HPGDCNR2HSD17B10
SCHEMBL5364279 0.77 DGAT1 (0.45) CYP2C9DGAT1DYRK1ACA12CA1
SCHEMBL5366382 0.77 HPGD (0.49) CYP2C9HPGDL3MBTL1
SCHEMBL14356223 0.77 PTGS2 (0.46) CYP2C9OGG1HPGDL3MBTL1PTPRB
SCHEMBL5367871 0.73 MCL1 (0.55) OGG1HPGDMCL1PTPRBHSD17B10
SCHEMBL15412587 0.73 OGG1 (0.43) OGG1HPGDL3MBTL1MCL1PTPRB
SCHEMBL14958764 0.71 TSHR (0.44) OGG1HPGDMCL1CA1CA2
SCHEMBL13948727 0.71 CYP2C9 (0.46) CYP2C9DGAT1HPGDL3MBTL1
SCHEMBL3440052 0.71 MCL1 (0.39) HPGDDYRK1AMCL1
SCHEMBL21748570 0.70 SSTR4 (0.53) DGAT1L3MBTL1

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 13 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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
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
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP 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
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO 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
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO 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 92/4885DGAT1 3580/4885OGG1 3193/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885DGAT1 4563/4885OGG1 2941/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885DGAT1 4030/4885OGG1 2963/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885DGAT1 3740/4885OGG1 3236/4885

“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.