SCHEMBL1156096

SCHEMBL1156096

Cc1c(CO)cc(-c2ccsc2)n1S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
AGTR1 P30556 1/20 0.37
GLO1 Q04760 1/20 0.36
PTGS2 P35354 2/20 0.36
KAT6A Q92794 1/20 0.36
PTGDR Q13258 1/20 0.35
HSD11B1 P28845 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDH2 P48735 2/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL1580222 0.86 PRMT6 (0.40) PTGDR2GLO1PTGS2KAT6APTGDR
Hydrochloric Acid SCHEMBL1156721 0.85 PRMT6 (0.39) PTGDR2GLO1PTGS2KAT6APTGDR
SCHEMBL1156195 0.81 PTGS2 (0.56) PTGDR2PTGS2PTGDRCA12CA2
SCHEMBL1156079 0.80 ERN1 (0.37) PTGDR2GLO1PTGS2KAT6ASRC
SCHEMBL1156625 0.79 LMNA (0.54) ALDH1A1
SCHEMBL1156792 0.78 KDM4E (0.47) PTGDR2KAT6APTGDRALDH1A1IDH2
SCHEMBL1156418 0.76 PTGDR2 (0.47) PTGDR2ALDH1A1
SCHEMBL5358792 0.74 CA12 (0.62) GLO1SRCALDH1A1CA12CA2
SCHEMBL1156353 0.73 PTGS2 (0.48) PTGDR2PTGS2PTGDR
SCHEMBL1580507 0.71 MAPT (0.40) PTGDR2PTGS2PTGDRSRCALDH1A1

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 9 patents. 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-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP 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
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGDR2 614/4885AGTR1 1794/4885GLO1 4359/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PTGDR2 699/4885AGTR1 1718/4885GLO1 4373/4885
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 PTGDR2 31/4885AGTR1 1836/4885GLO1 3783/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGDR2 606/4885AGTR1 1851/4885GLO1 4348/4885

“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.