SCHEMBL599673

SCHEMBL599673

c1ccc(CSc2nc3ccccc3[nH]2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP2E1 P05181 6/20 1.00
CYP2C8 P10632 6/20 1.00
CYP2D6 P10635 6/20 1.00
CYP2C9 P11712 6/20 1.00
CYP2B6 P20813 6/20 1.00
CYP2C19 P33261 6/20 1.00
CYP3A4 P08684 5/20 0.71
NOS3 P29474 1/20 0.64
NOS1 P29475 1/20 0.64
NOS2 P35228 1/20 0.64
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
GFER P55789 1/20 0.63
BCHE P06276 1/20 0.61
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59

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
Hydrochloric Acid SCHEMBL11687988 0.98 CYP1A2 (0.97) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Water SCHEMBL4488115 0.98 CYP1A2 (0.97) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL25319196 0.86 CYP1A2 (0.75) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL28724342 0.86 CYP1A2 (0.75) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL14304931 0.86 CYP1A2 (0.75) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6483161 0.84 CYP1A2 (0.72) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10920495 0.84 CYP1A2 (0.70) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL11684920 0.84 CYP2E1 (0.73) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL7850535 0.84 CYP1A2 (0.71) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL10574131 0.84 CYP1A2 (0.72) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466897-B1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid DIPHARMA FRANCIS SRL (IT) 2008-12-17 EP claimed
EP-1421076-B1 HYDRATES OF OPTIONALLY SUBSTITUTED 2-(2-PYRIDINYL)METHYLTHIO-1H-BENZIMIDAZOLES AND METHOD FOR THE PRODUCTION THEREOF GRUENENTHAL GMBH (DE) 2007-10-10 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-20040158072-A1 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof GRUNENTHAL GMBH (DE) 2004-08-12 US 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
CN-1070192-C Thipyridines for use in control of helicobacter bacteria BYK GULDEN LOMBERG CHEM FAB (DE) 2001-08-29 CN claimed
EP-0645140-B1 Compositions for rectal administration containing benzimidazoles and fatty acid salts TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-02 EP claimed
CN-1155284-A Thipyridines for use in control of helicobacter bacteria BYK GULDEN LOMBERG CHEM FAB (DE) 1997-07-23 CN claimed
EP-0649305-A1 BENZIMIDAZOLES FOR ALLEVIATING STOMACH ULCERS IN SWINE MONSANTO COMPANY (US) 1995-04-26 EP claimed
US-5389664-A Administering benzimidazole compounds to inhibit at pase activity MONSANTO COMPANY (US) 1995-02-14 US claimed
WO-1994001107-A1 BENZIMIDAZOLES FOR ALLEVIATING STOMACH ULCERS IN SWINE MONSANTO COMPANY (US) 1994-01-20 WO 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
JP-1131176-A None JP disclosed
US-4472409-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-09-18 US disclosed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US 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-20040158072-A1 Hydrates of optionally substituted 2-(2-pyridinyl) methylthio-1H-benzimidazoles and process for the production thereof BHMT2, H1-4, TBCB CYP1A2 245/4885CYP2E1 181/4885CYP2C8 342/4885
US-20030028030-A1 Method for oxidizing a thioether group into a sulfoxide group CBR1, CBR3, SCO2 CYP1A2 2157/4885CYP2E1 154/4885CYP2C8 1044/4885
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group STS, MPST, SULT2A1 CYP1A2 402/4885CYP2E1 99/4885CYP2C8 107/4885

“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.