SCHEMBL1156677

SCHEMBL1156677

CC(C)(C)CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccnc2Cl)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
SLC16A3 O15427 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PTPRF P10586 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
MCTS1 Q9ULC4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SLC16A1 P53985 1/20 0.32
CHRM5 P08912 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
SCHEMBL1156338 0.87 ACLY (0.39) ACLYPTGDR2SLC16A3TP53PTPRF
SCHEMBL2412381 0.84 CHRM5 (0.37) PTGDR2L3MBTL1TP53MAPTALDH1A1
SCHEMBL1156667 0.83 CHRM1 (0.35) L3MBTL1ALDH1A1CHRM5
SCHEMBL1156604 0.83 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1POLBLMNA
SCHEMBL1156675 0.82 HTR2C (0.41) ACLYSLC16A3POLBMCTS1SLC16A1
SCHEMBL1278259 0.80 PTGER2 (0.36) PTGDR2ALDH1A1RXFP1
SCHEMBL1156870 0.80 BRAF (0.41) MAPTALDH1A1
SCHEMBL2409830 0.80 PTGDR2 (0.39) PTGDR2L3MBTL1CHRM5
SCHEMBL4793290 0.79 CHRM1 (0.32) L3MBTL1
SCHEMBL1580757 0.78 ACLY (0.39) ACLYPTGDR2SLC16A3

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 ACLY 798/4885PTGDR2 934/4885SLC16A3 1194/4885
US-20110301174-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL ACLY 1304/4885PTGDR2 1582/4885SLC16A3 1774/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR ACLY 677/4885PTGDR2 1191/4885SLC16A3 1966/4885
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 ACLY 4229/4885PTGDR2 145/4885SLC16A3 3094/4885
US-20120088797-A1 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS CMA1, GIPR, CTRL ACLY 1304/4885PTGDR2 1582/4885SLC16A3 1774/4885
US-20110144161-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS HRH2, GHSR, ASNS ACLY 617/4885PTGDR2 973/4885SLC16A3 1820/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ACLY 501/4885PTGDR2 606/4885SLC16A3 2326/4885

“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.