SCHEMBL1306777

SCHEMBL1306777

COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
CYP2C9 P11712 4/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP3A4 P08684 1/20 0.71
KMT2A Q03164 5/20 0.63
LMNA P02545 4/20 0.63
MAPT P10636 3/20 0.63
ALDH1A1 P00352 2/20 0.63
DDAH1 O94760 1/20 0.63
HTR1A P08908 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
IDE P14735 1/20 0.63
HPGD P15428 1/20 0.63
ADRA2B P18089 1/20 0.63
TBXA2R P21731 1/20 0.63
ACHE P22303 1/20 0.63
PTGS1 P23219 1/20 0.63

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
SCHEMBL29538889 1.00 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL5738051 0.99 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL5738053 0.99 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8502308 0.98 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL5352269 0.95 RAB9A (0.72) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8503121 0.94 RAB9A (0.66) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8503345 0.92 RAB9A (0.64) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8500179 0.92 RAB9A (0.66) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL3177868 0.92 RAB9A (0.66) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8501939 0.92 RAB9A (0.68) RAB9ANPC1CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114609268-A Method for detecting related substances in dextral rabeprazole sodium bulk drug 南京海纳医药科技股份有限公司 2022-06-10 CN claimed
CN-111714639-A Composition comprising histamine release-promoting substance and benzimidazole derivative 黄泳华 2020-09-29 CN claimed
CN-111084886-A Composition comprising fatty acid or derivative thereof and benzimidazole derivative 黄泳华 2020-05-01 CN claimed
CN-110964360-A High-strength pigment red and preparation method thereof 吴江山湖颜料有限公司 2020-04-07 CN claimed
US-9228216-B2 Synthesis of prazole compounds CODEXIS, INC. (US) 2016-01-05 US claimed
US-20150080579-A1 Salts and Polymorphs of Dexrabeprazole CIPLA LIMITED (IN) 2015-03-19 US claimed
US-20150056668-A1 SYNTHESIS OF PRAZOLE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-02-26 US claimed
US-8912337-B2 Salts and polymorphs of dexrabeprazole CIPLA LIMITED (IN) 2014-12-16 US claimed
US-20130150588-A1 Salts and Polymorphs of Dexrabeprazole CIPLA LIMITED (IN) 2013-06-13 US claimed
EP-2585450-A1 SALTS AND POLYMORPHS OF DEXRABEPRAZOLE Cilpa Limited (IN) 2013-05-01 EP claimed
US-20080161579-A1 Process for Synthesis of Proton Pump Inhibitors CIPLA LIMITED (IN) 2008-07-03 US claimed
EP-1818331-A1 Process for the preparation of 2-[{4-(3-methoxypropoxy)-3-methylpyridin-2-yl}methylsulfinyl]-1H-benzimidazole substantially free of sulfone impurity EOS Eczacibasi Ozgun Kimyasal Urunler Sanayi Ve Ti Caret A.S. (TR) 2007-08-15 EP claimed
EP-1033129-B1 ANTIMICROBIALS FOR TREATING PEPTIC ULCER EISAI CO LTD (JP) 2006-06-14 EP claimed
US-6998490-B2 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. (IT) 2006-02-14 US claimed
EP-1466897-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid Dipharma S.p.A. (IT) 2004-10-13 EP claimed
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. ABBREVIATED DIPHARMA S.P.A. 2004-09-30 US claimed
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
EP-1270555-A1 METHOD FOR OXIDIZING A THIOETHER GROUP INTO A SULFOXIDE GROUP ESTEVE QUIMICA, S.A. (ES) 2003-01-02 EP claimed
WO-2000027841-A1 METHOD OF PREPARING SULFIDE DERIVATIVES DONG-A PHARMACEUTICAL CO., LTD. (KR) 2000-05-18 WO 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-20080161579-A1 Process for Synthesis of Proton Pump Inhibitors RAB29, HRH2, RAB7A RAB9A 10/4885NPC1 4066/4885CYP2C9 33/4885
US-20130150588-A1 Salts and Polymorphs of Dexrabeprazole CYP3A4, ATP1A4, CYP2D6 RAB9A 1438/4885NPC1 2487/4885CYP2C9 92/4885
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group STS, MPST, SULT2A1 RAB9A 3792/4885NPC1 4009/4885CYP2C9 44/4885
US-20150080579-A1 Salts and Polymorphs of Dexrabeprazole CYP3A4, ATP1A4, CYP2D6 RAB9A 1438/4885NPC1 2487/4885CYP2C9 92/4885

“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.