SCHEMBL537800

SCHEMBL537800

COc1ccnc(CSc2nc3cc(OC(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.55
ATP4B P51164 9/20 0.55
CYP2C9 P11712 4/20 0.55
CYP3A4 P08684 4/20 0.55
KDM4E B2RXH2 1/20 0.55
SLC22A2 O15244 1/20 0.55
DDAH1 O94760 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
ABCB1 P08183 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ADRA1A P35348 1/20 0.55
FASN P49327 1/20 0.55
SLC47A2 Q86VL8 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50

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
SCHEMBL29694095 1.00 ATP4A (0.55) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL3179008 0.95 ATP4A (0.51) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL3170087 0.94 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL3177079 0.94 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL3170408 0.94 ATP4A (0.50) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL13846375 0.92 CYP2C9 (0.65) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL29693616 0.92 CYP2C9 (0.65) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL3177754 0.92 CYP2C9 (0.48) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL14433017 0.90 CYP2C9 (0.50) ATP4AATP4BCYP2C9CYP3A4KDM4E
SCHEMBL9527620 0.90 ATP4A (0.55) ATP4AATP4BCYP2C9CYP3A4KDM4E

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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111714639-A Composition comprising histamine release-promoting substance and benzimidazole derivative 黄泳华 2020-09-29 CN claimed
CN-109354587-B Preparation method of pantoprazole sodium and pantoprazole sodium 成都天台山制药有限公司 2020-09-18 CN claimed
CN-111084886-A Composition comprising fatty acid or derivative thereof and benzimidazole derivative 黄泳华 2020-05-01 CN claimed
US-9228216-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2016-01-05 US claimed
US-20150056668-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-02-26 US claimed
EP-2510089-A2 SYNTHESIS OF PRAZOLE COMPOUNDS Codexis, Inc. (US) 2012-10-17 EP claimed
WO-2011071982-A2 SYNTHESIS OF PRAZOLE COMPOUNDS CODEXIS, INC. (US) 2011-06-16 WO claimed
US-20080262043-A1 Solid Crystalline Form of Pantoprazole Free Acid, Salts Derived Therefrom and Process for Their Preparation MEDICHEM, S.A. (ES) 2008-10-23 US claimed
US-20080004319-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole BRAUDE VIVIANA 2008-01-03 US claimed
US-7301030-B2 Process for preparing (S)-pantoprazole NYCOMED GMBH (DE) 2007-11-27 US claimed
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 claimed
EP-1575941-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE Altana Pharma AG (DE) 2005-09-21 EP claimed
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 claimed
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 claimed
EP-1270555-B1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA SA (ES) 2004-08-25 EP claimed
WO-2004052881-A2 PROCESS FOR PREPARING (S)-PANTOPRAZOLE ALTANA PHARMA AG (DE) 2004-06-24 WO claimed
US-6603009-B2 Oxidation of a thioether to a sulfoxide using sodium percarbonate and a molybdenum salt as catalyst; making lansoprazole, omeprazole, rabeprazole, and pantoprazole ESTEVE QUIMICA, S.A. (ES) 2003-08-05 US claimed
US-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group ESTEVE QUIMICA, S.A. (ES) 2003-02-06 US claimed
EP-1270555-A1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA, S.A. (ES) 2003-01-02 EP claimed
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 claimed

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 697/4885CYP2C9 20/4885
US-20050075370-A1 Process for preparing 2-[(pyridinyl)methyl]sulfinyl-substituted benzimidazoles and novel chlorinated derivatives of pantoprazole RAB29, SQOR, RAB35 ATP4A 558/4885ATP4B 697/4885CYP2C9 20/4885
US-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group CBR1, CBR3, SCO2 ATP4A 1886/4885ATP4B 2853/4885CYP2C9 493/4885
US-20080262043-A1 Solid Crystalline Form of Pantoprazole Free Acid, Salts Derived Therefrom and Process for Their Preparation CYP3A43, SI, SENP6 ATP4A 596/4885ATP4B 720/4885CYP2C9 93/4885

“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.