SCHEMBL1156698

SCHEMBL1156698

Cc1c(C=O)cn(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ MET P08581 1/20 0.39
▸ PTGS2 P35354 7/20 0.39
▸ NPBWR1 P48145 1/20 0.36
▸ SCD O00767 2/20 0.35
▸ ELAVL1 Q15717 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL1156331 0.89 KDM4E (0.45) KDM4EUBE2NELAVL1HTR6L3MBTL1
SCHEMBL1156235 0.88 KDM4E (0.51) KDM4EUBE2NELAVL1HTR6L3MBTL1
SCHEMBL1156362 0.87 HTR6 (0.41) KDM4EUBE2NMETHTR6
SCHEMBL1156166 0.82 KDM4E (0.61) KDM4EUBE2NHTR6NR1H2NR1H3
SCHEMBL1156191 0.80 KDM4E (0.49) KDM4EUBE2NPTGS2ELAVL1HTR6
SCHEMBL1156646 0.80 KDM4E (0.41) KDM4EUBE2NPTGS2HTR6
SCHEMBL1156808 0.78 PKM (0.49) L3MBTL1
SCHEMBL1156374 0.78 KDM4E (0.41) KDM4EUBE2NPTGS2HTR6L3MBTL1
SCHEMBL1580537 0.78 HTR6 (0.42) METPTGS2HTR6L3MBTL1
Hydrochloric Acid SCHEMBL1156736 0.77 HTR6 (0.41) METPTGS2HTR6

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 KDM4E 2114/4885UBE2N 3244/4885MET 3228/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 KDM4E 2305/4885UBE2N 3238/4885MET 3092/4885
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 KDM4E 887/4885UBE2N 3760/4885MET 2472/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 KDM4E 2128/4885UBE2N 3287/4885MET 3253/4885

“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.

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