SCHEMBL1156937

SCHEMBL1156937

CN(Cc1cc(-c2ccc(F)cc2F)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
NAMPT P43490 5/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
BRD4 O60885 1/20 0.33
RIPK1 Q13546 1/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL1157390 0.93 PTGDR2 (0.37) POLBPTGDR2HTR2CSLC6A4HTR2A
SCHEMBL1156217 0.93 NAMPT (0.37) POLBPTGDR2HTR2CSLC6A4HTR2A
SCHEMBL24893417 0.93 RIPK1 (0.33) POLBPTGDR2HTR2CSLC6A4HTR2A
SCHEMBL1156475 0.92 HTT (0.40) HTR2CSLC6A4NAMPT
SCHEMBL30367834 0.92 CHRNB2 (0.37) POLBPTGDR2HTR2CSLC6A4GPBAR1
SCHEMBL1278510 0.92 TACR1 (0.35) POLBPTGDR2HTR2CSLC6A4ALDH1A1
SCHEMBL1278069 0.89 SSTR5 (0.39) POLBPTGDR2HTR2CSLC6A4ALDH1A1
SCHEMBL1278793 0.88 PTGDR2 (0.36) POLBPTGDR2HTR2CSLC6A4ALDH1A1
SCHEMBL1278111 0.88 RIPK1 (0.34) PTGDR2HTR2CSLC6A4ALDH1A1GPBAR1
SCHEMBL1156525 0.88 POLB (0.42) POLBPTGDR2ALDH1A1GPBAR1NAMPT

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-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-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-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 POLB 4629/4885PTGDR2 934/4885HTR2C 2970/4885
US-20110301174-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL POLB 4247/4885PTGDR2 1582/4885HTR2C 2587/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR POLB 4181/4885PTGDR2 1191/4885HTR2C 2017/4885
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 POLB 4811/4885PTGDR2 145/4885HTR2C 595/4885
US-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL POLB 4247/4885PTGDR2 1582/4885HTR2C 2587/4885
US-20110144161-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS HRH2, GHSR, ASNS POLB 4154/4885PTGDR2 973/4885HTR2C 1812/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 POLB 2578/4885PTGDR2 606/4885HTR2C 924/4885

“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.