SCHEMBL1156782

SCHEMBL1156782

Cc1ccccc1-c1cc(C=O)cn1S(=O)(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.33
UBE2N P61088 1/20 0.33
OXTR P30559 1/20 0.32
SDHB P21912 1/20 0.32
RXRA P19793 2/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
HTR6 P50406 1/20 0.31
PTGS1 P23219 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HDAC3 O15379 1/20 0.30

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
SCHEMBL1157095 0.88 HTR6 (0.42) METPTGS2HTR6PTGS1HDAC3
SCHEMBL1157011 0.84 NR1H2 (0.38) METPTGS2RXRANR1H2NR1H3
SCHEMBL1156716 0.84 MET (0.41) METALDH1A1PTGS2NR1H2HTR6
SCHEMBL1156088 0.84 KDM4E (0.49) ALDH1A1KDM4EUBE2NHTR6CA1
SCHEMBL1278506 0.81 PSEN1 (0.37) ALDH1A1PTGS2KDM4EHTR6PTGS1
SCHEMBL2411295 0.81 MET (0.47) METPTGS2HTR6PTGS1HDAC3
Hydrochloric Acid SCHEMBL29816215 0.81 PSEN1 (0.36) ALDH1A1PTGS2KDM4EHTR6PTGS1
Hydrochloric Acid SCHEMBL194007 0.81 PSEN1 (0.36) ALDH1A1PTGS2KDM4EHTR6PTGS1
SCHEMBL1580513 0.78 HTR7 (0.37) METALDH1A1PTGS2OXTRHTR6
Hydrochloric Acid SCHEMBL1157199 0.77 HTR7 (0.36) METALDH1A1PTGS2KDM4EOXTR

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 3228/4885ALDH1A1 2529/4885PTGS2 418/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 MET 3092/4885ALDH1A1 2593/4885PTGS2 413/4885
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 2472/4885ALDH1A1 1764/4885PTGS2 27/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 MET 3253/4885ALDH1A1 2505/4885PTGS2 416/4885

“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.