SCHEMBL3537809

SCHEMBL3537809

COc1cnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.41
ATP4B P51164 7/20 0.41
ATP1A1 P05023 3/20 0.41
ATP1B1 P05026 3/20 0.41
ATP1A3 P13637 3/20 0.41
ATP1B2 P14415 3/20 0.41
ATP1A2 P50993 3/20 0.41
ATP1B3 P54709 3/20 0.41
FXYD2 P54710 3/20 0.41
ATP1A4 Q13733 3/20 0.41
CACNA1B Q00975 1/20 0.33
ENPP1 P22413 1/20 0.32
SCN9A Q15858 1/20 0.32
RUNX1 Q01196 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP17A1 P05093 2/20 0.31
CYP2C19 P33261 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL9527234 0.92 ATP4A (0.42) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL28815215 0.91 NOS2 (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10372859 0.90 ATP4A (0.38) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10370234 0.90 ATP4A (0.38) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6482588 0.89 ATP4A (0.44) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6883715 0.87 ATP4A (0.43) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882608 0.87 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527842 0.85 NOS2 (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6873292 0.85 NOS2 (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL2873599 0.85 ATP4A (0.53) ATP4AATP4BATP1A1ATP1B1ATP1A3

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-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
US-7683177-B2 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2010-03-23 US disclosed
US-7683177-B2 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2010-03-23 US disclosed
WO-2008001392-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF PANTOPRAZOLE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2008-01-03 WO disclosed
US-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole BRAUDE VIVIANA 2008-01-03 US disclosed
US-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole BRAUDE VIVIANA 2008-01-03 US disclosed
EP-1615913-A2 PROCESS FOR PREPARING 2-(PYRIDINYL)METHYL SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE Teva Pharmaceutical Industries Limited (IL) 2006-01-18 EP disclosed
US-20050075370-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole TEVA PHARMACEUTICALS USA, INC. 2005-04-07 US disclosed
WO-2004111029-A2 PROCESS FOR PREPARING 2-[(PYRIDINYL)METHYL]SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-23 WO disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP 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-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole RAB29, SQOR, RAB35 ATP4A 558/4885ATP4B 697/4885ATP1A1 414/4885
US-20050075370-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole RAB29, SQOR, RAB35 ATP4A 558/4885ATP4B 697/4885ATP1A1 414/4885
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 ATP4A 298/4885ATP4B 428/4885ATP1A1 318/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 ATP4A 1229/4885ATP4B 990/4885ATP1A1 958/4885

“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.