SCHEMBL1156403

SCHEMBL1156403

COC(=O)c1c[nH]c(Br)c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.49
CREBBP Q92793 1/20 0.46
MAP2K1 Q02750 1/20 0.42
MAPT P10636 1/20 0.40
MYC P01106 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
AXL P30530 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1156930 0.81 GABRA1 (0.50) MAPTTSHRLMNAKDM4E
SCHEMBL9400147 0.80 NR4A2 (0.49) NR4A2CREBBPMAP2K1MAPTTSHR
SCHEMBL4046793 0.78 NR4A2 (0.47) NR4A2CREBBPMAP2K1
SCHEMBL7689425 0.78 BRPF1 (0.42) NR4A2KDM4E
SCHEMBL28944544 0.78 NOTUM (0.50) MYCKDM4EGLAGAA
SCHEMBL1156174 0.77 NR4A2 (0.45) NR4A2CREBBPMAP2K1MAPTTSHR
SCHEMBL1156225 0.77 NR4A2 (0.45) NR4A2CREBBPMAP2K1TSHRLMNA
SCHEMBL6022280 0.76 NR4A2 (0.45) NR4A2CREBBPMAP2K1LMNA
SCHEMBL1155973 0.74 NR4A2 (0.43) NR4A2CREBBPMAP2K1MAPTTSHR
SCHEMBL69740 0.74 NR4A2 (0.48) NR4A2CREBBPMAP2K1MAPTMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456098-B Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy 大连理工大学 2024-06-14 CN claimed
CN-114456098-A Preparation method of diabetic nephropathy medicine namely elsamiloride 大连理工大学 2022-05-10 CN claimed
CN-114456098-B Preparation method of medicine Ai Shali ketone for treating diabetic nephropathy 大连理工大学 2024-06-14 CN disclosed
CN-114456098-A Preparation method of diabetic nephropathy medicine namely elsamiloride 大连理工大学 2022-05-10 CN disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
EP-2349997-B1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS INC (US) 2015-08-12 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
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 disclosed
US-8487117-B2 Atropisomers of (hydroxyalkyl) pyrrole derivatives EXELIXIS, INC. (US) 2013-07-16 US disclosed
US-8436187-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
WO-2010042622-A1 ATROPISOMERS OF (HYDROXYALKYL) PYRROLE DERIVATIVES EXELIXIS, INC. (US) 2010-04-15 WO 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
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 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
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 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 (6 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 NR4A2 1760/4885CREBBP 3195/4885MAP2K1 2755/4885
US-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NR4A2 1498/4885CREBBP 2399/4885MAP2K1 1465/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NR4A2 1507/4885CREBBP 2233/4885MAP2K1 1709/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 NR4A2 554/4885CREBBP 1375/4885MAP2K1 2320/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR NR4A2 2373/4885CREBBP 3146/4885MAP2K1 1626/4885
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 NR4A2 943/4885CREBBP 1236/4885MAP2K1 829/4885

“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.