SCHEMBL194035

SCHEMBL194035

CNCc1cc(-c2ccccc2C)n(S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
CLK4 Q9HAZ1 2/20 0.38
EPHX2 P34913 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TBXAS1 P24557 1/20 0.36
HTR7 P34969 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL29754033 1.00 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1156606 0.99 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1580390 0.93 TSHR (0.39) ALDH1A1TSHRPOLBEPHX2PRMT6
Fumaric Acid SCHEMBL29536757 0.92 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
Fumaric Acid SCHEMBL194496 0.92 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
Fumaric Acid SCHEMBL194497 0.92 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1580286 0.92 P2RX7 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1580574 0.90 TSHR (0.40) ALDH1A1TSHRPOLBEPHX2PRMT6
SCHEMBL1581054 0.89 CYP17A1 (0.38) ALDH1A1TSHRPOLBEPHX2PRMT6
SCHEMBL9989128 0.89 ALDH1A1 (0.43) ALDH1A1TSHR

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 133 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
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed
EP-2564833-B1 Photostabilized pharmaceutical composition TAKEDA PHARMACEUTICALS CO (JP) 2017-12-20 EP claimed
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US 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 (7 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 ALDH1A1 2004/4885CYP1A2 1488/4885CYP3A4 964/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH1A1 1146/4885CYP1A2 146/4885CYP3A4 57/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR ALDH1A1 1773/4885CYP1A2 1545/4885CYP3A4 1244/4885
US-20190070159-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A ALDH1A1 3026/4885CYP1A2 2705/4885CYP3A4 516/4885
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 ALDH1A1 1043/4885CYP1A2 1624/4885CYP3A4 980/4885
US-20180085361-A1 NOVEL PHARMACEUTICAL USES ATP1A4, HRH2, ATP4A ALDH1A1 3026/4885CYP1A2 2705/4885CYP3A4 516/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI ALDH1A1 795/4885CYP1A2 254/4885CYP3A4 405/4885

“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.