SCHEMBL193717

SCHEMBL193717

CNCc1cc(-c2cscc2C)n(S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.38
TSHR P16473 4/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CHRM5 P08912 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
NAMPT P43490 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL1156993 0.99 CYP2E1 (0.39) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
Fumaric Acid SCHEMBL1278302 0.93 CYP2E1 (0.37) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
Fumaric Acid SCHEMBL1278298 0.93 CYP2E1 (0.37) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL14300810 0.90 CYP2E1 (0.39) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL9988058 0.89 CYP2C9 (0.40) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL1580390 0.88 TSHR (0.39) MAPTTSHRPOLBEPHX2PRMT6
SCHEMBL1580769 0.87 EPHX2 (0.34) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL29754033 0.87 ALDH1A1 (0.39) CYP3A4CYP2D6CYP2C19MAPTTSHR
SCHEMBL194035 0.87 ALDH1A1 (0.39) CYP3A4CYP2D6CYP2C19MAPTTSHR
Hydrochloric Acid SCHEMBL1156606 0.86 ALDH1A1 (0.38) CYP3A4CYP2D6CYP2C19MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US claimed
CN-110200903-B Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2022-07-29 CN claimed
EP-2866788-B1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICALS CO (JP) 2020-12-16 EP claimed
CN-110917130-A Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2020-03-27 CN claimed
US-20190070159-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICALS CO (JP) 2019-03-07 US claimed
US-20180085361-A1 NOVEL PHARMACEUTICAL USES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-29 US claimed
EP-2309985-B1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP claimed
US-20150165027-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 US claimed
EP-2866788-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS Takeda Pharmaceutical Company Limited (JP) 2015-05-06 EP claimed
EP-2327692-B9 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP claimed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US claimed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP claimed
EP-1919865-B1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2011-04-06 EP claimed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO claimed
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-11-05 US claimed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US claimed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 US claimed
EP-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP claimed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US claimed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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 (8 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-20090143444-A1 ACID SECRETION INHIBITOR HRH2, VIP, CCKBR CYP2E1 1786/4885CYP3A4 964/4885CYP2D6 2106/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 CYP2E1 1606/4885CYP3A4 57/4885CYP2D6 78/4885
US-20150165027-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI CYP2E1 1521/4885CYP3A4 405/4885CYP2D6 211/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR CYP2E1 1077/4885CYP3A4 1244/4885CYP2D6 2024/4885
US-20190070159-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A CYP2E1 2779/4885CYP3A4 516/4885CYP2D6 623/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 CYP2E1 636/4885CYP3A4 980/4885CYP2D6 1880/4885
US-20180085361-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A CYP2E1 2779/4885CYP3A4 516/4885CYP2D6 623/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI CYP2E1 1521/4885CYP3A4 405/4885CYP2D6 211/4885

“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.