SCHEMBL1156744

SCHEMBL1156744

CC(C)(C)CN(Cc1cc(-c2cccc(C#N)c2)n(S(=O)(=O)c2cccnc2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
PTGER2 P43116 6/20 0.37
NAMPT P43490 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDK1 Q15118 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
MCHR1 Q99705 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
RIPK2 O43353 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1278704 0.93 FNTA (0.36) SLC22A12PTGER2NAMPTCYP11B1CYP11B2
SCHEMBL1278794 0.89 PKM (0.39) PTGER2NAMPTCYP11B1CYP11B2ALDH1A1
SCHEMBL1156393 0.88 PPME1 (0.40) MCHR1HRH3ADAMTS4
SCHEMBL1278312 0.87 SLC22A12 (0.36) SLC22A12PTGER2NAMPTFNTAFNTB
SCHEMBL1156828 0.87 PTGER2 (0.40) SLC22A12PTGER2NAMPTCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4793806 0.85 PTGER2 (0.36) PTGER2NAMPTALDH1A1
SCHEMBL1977125 0.85 ALDH1A1 (0.39) PTGER2NAMPTCYP11B1ALDH1A1MAPK1
SCHEMBL1278071 0.85 PTGER2 (0.40) PTGER2NAMPTALDH1A1CYP3A4KDM4E
SCHEMBL1278459 0.84 PTGER2 (0.33) PTGER2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1156472 0.83 PTGER2 (0.36) PTGER2ALDH1A1HSD17B10KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415368-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-09 US disclosed
US-8338461-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-8338462-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-20110301174-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
US-7977488-B2 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-12 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110144161-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-16 US disclosed
EP-2327692-A1 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
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 disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
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 disclosed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 US disclosed
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 disclosed
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 disclosed
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 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 (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 SLC22A12 852/4885PTGER2 1995/4885NAMPT 1430/4885
US-20110301174-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL SLC22A12 2484/4885PTGER2 2334/4885NAMPT 1740/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR SLC22A12 2012/4885PTGER2 2281/4885NAMPT 2114/4885
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 SLC22A12 2723/4885PTGER2 208/4885NAMPT 3739/4885
US-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL SLC22A12 2484/4885PTGER2 2334/4885NAMPT 1740/4885
US-20110144161-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS HRH2, GHSR, ASNS SLC22A12 1978/4885PTGER2 1897/4885NAMPT 1980/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 SLC22A12 874/4885PTGER2 441/4885NAMPT 1091/4885

“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.