SCHEMBL1156716

SCHEMBL1156716

CS(=O)(=O)c1cccc(S(=O)(=O)n2cc(C=O)cc2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
HTR6 P50406 6/20 0.40
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
KCNH2 Q12809 2/20 0.39
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SCD O00767 1/20 0.36
NR1H2 P55055 1/20 0.36
PTGS2 P35354 5/20 0.35
PTGS1 P23219 2/20 0.35

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
SCHEMBL1156254 0.90 ALOX5 (0.44) ALOX5PTGS2PTGS1
SCHEMBL1157055 0.88 ALDH1A1 (0.45) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1156275 0.88 BRD4 (0.42) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1156782 0.84 MET (0.39) METHTR6ALDH1A1NR1H2PTGS2
SCHEMBL1157095 0.84 HTR6 (0.42) METHTR6SCDPTGS2PTGS1
SCHEMBL1156247 0.83 ALDH1A1 (0.45) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1156187 0.82 KDM4E (0.51) HTR6ALDH1A1MAPTNR1H2
SCHEMBL1156748 0.81 LMNA (0.47) METALDH1A1MAPT
SCHEMBL1156091 0.81 ELAVL1 (0.38) ALOX5ALDH1A1MAPTPTGS2PTGS1
SCHEMBL1156851 0.80 CTSG (0.47) ALDH1A1PTGS2

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 MET 3228/4885HTR6 1438/4885HTR1A 500/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 MET 3092/4885HTR6 1293/4885HTR1A 499/4885
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 MET 2472/4885HTR6 949/4885HTR1A 80/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 MET 3253/4885HTR6 1412/4885HTR1A 479/4885

“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.