SCHEMBL6582664

SCHEMBL6582664

Cc1c(OCCCO)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
LMNA P02545 5/20 0.49
CYP2C9 P11712 4/20 0.49
WDR5 P61964 4/20 0.49
ENGASE Q8NFI3 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
DDAH1 O94760 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
HPGD P15428 2/20 0.49
TBXA2R P21731 2/20 0.49
NPY1R P25929 2/20 0.49
ADORA1 P30542 2/20 0.49
OPRM1 P35372 2/20 0.49
HTR3A P46098 2/20 0.49
FASN P49327 2/20 0.49
SARM1 Q6SZW1 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
HTR1A P08908 1/20 0.49
IDE P14735 1/20 0.49

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
SCHEMBL859243 0.98 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL8503283 0.96 LMNA (0.47) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL15797364 0.92 KMT2A (0.49) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL13360944 0.92 KMT2A (0.47) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL13361069 0.92 KMT2A (0.47) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL8503846 0.91 KMT2A (0.58) KMT2ALMNACYP2C9WDR5ENGASE
Rabeprazole SCHEMBL23336 0.91 KMT2A (0.61) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL2983762 0.91 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5ENGASE
SCHEMBL7988197 0.91 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5ENGASE
Dexrabeprazole SCHEMBL4946138 0.91 KMT2A (0.61) KMT2ALMNACYP2C9WDR5ENGASE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270555-B1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA SA (ES) 2004-08-25 EP 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
US-8992897-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2015-03-31 US disclosed
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-07-31 US disclosed
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-07-31 US disclosed
US-20100009003-A1 PHARMACEUTICAL PREPARATION TO BE DISPERSED BEFORE ADMINISTRATION UKAI KOJI 2010-01-14 US disclosed
WO-2008035192-A2 METHOD OF PREPARATION OF AMORPHOUS RABEPRAZOLE SODIUM CADILA PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO 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
EP-1270555-B1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA SA (ES) 2004-08-25 EP disclosed
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 disclosed
US-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 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 (3 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-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group CBR1, CBR3, SCO2 KMT2A 3015/4885LMNA 4429/4885CYP2C9 493/4885
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 KMT2A 1874/4885LMNA 212/4885CYP2C9 2552/4885
US-20100009003-A1 PHARMACEUTICAL PREPARATION TO BE DISPERSED BEFORE ADMINISTRATION PGA5, SLC18A1, IL5 KMT2A 4158/4885LMNA 1000/4885CYP2C9 1337/4885

“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.