Sugi Predict

Sugi Predict / Compounds / SCHEMBL1156830

SCHEMBL1156830

SCHEMBL1156830

N#Cc1cccc(-c2cc(CCNC(=O)O)cn2S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MAPK1 P28482 4/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ KAT6A Q92794 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL3906144 0.92 ALDH1A1 (0.43) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL1156241 0.88 ALDH1A1 (0.44) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL1156433 0.87 KAT6A (0.41) CYP1A2CYP3A4CLK4KAT6AUSP2
SCHEMBL1561495 0.86 ALDH1A1 (0.40) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL1156614 0.83 ALDH1A1 (0.45) NAMPTALDH1A1MAPK1TSHRIDE
SCHEMBL1580669 0.83 CYP3A4 (0.44) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL3904969 0.83 ALDH1A1 (0.40) NAMPTALDH1A1MAPK1TSHRMEN1
Hydrochloric Acid SCHEMBL1156192 0.82 CYP3A4 (0.43) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL1156828 0.82 PTGER2 (0.40) NAMPTALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL3908504 0.82 ALDH1A1 (0.44) NAMPTALDH1A1MAPK1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-8415368-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-09 — — US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 — — EP 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-8299261-B2 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-30 — — US disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 — — US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP 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
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
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-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

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 NAMPT 1430/4885ALDH1A1 2004/4885CYP11B1 1671/4885
US-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NAMPT 1097/4885ALDH1A1 2529/4885CYP11B1 1215/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NAMPT 1309/4885ALDH1A1 2593/4885CYP11B1 1042/4885
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 NAMPT 3695/4885ALDH1A1 1764/4885CYP11B1 78/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR NAMPT 2114/4885ALDH1A1 1773/4885CYP11B1 1842/4885
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 NAMPT 3739/4885ALDH1A1 1043/4885CYP11B1 1389/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NAMPT 1091/4885ALDH1A1 2505/4885CYP11B1 1190/4885

“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.