SCHEMBL1156079

SCHEMBL1156079

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GLO1 Q04760 1/20 0.34
KAT6A Q92794 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SRC P12931 1/20 0.33
ATP4A P20648 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
SCHEMBL1156785 0.86 ALDH1A1 (0.43) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1156778 0.80 PTGS2 (0.55) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1156096 0.80 PTGDR2 (0.39) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1580222 0.78 PRMT6 (0.40) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1156583 0.78 PTGS2 (0.55) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1156385 0.78 MMP2 (0.43) CA12CA2CA9PTGS2KDM4E
SCHEMBL1156358 0.77 HTR6 (0.44) ERN1PTGS2CYP2E1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1156721 0.77 PRMT6 (0.39) CA12CA2CA9PTGS2PTGDR2
SCHEMBL1156792 0.77 KDM4E (0.47) PTGDR2KAT6AKDM4EMEN1ALDH1A1
SCHEMBL1156790 0.76 ERN1 (0.39) ERN1CA12CA2CA9KDM4E

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 ERN1 2917/4885CA12 3711/4885CA2 1199/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ERN1 2569/4885CA12 3143/4885CA2 1157/4885
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 ERN1 2644/4885CA12 4727/4885CA2 4187/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ERN1 2937/4885CA12 3697/4885CA2 1193/4885

“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.