SCHEMBL1156790

SCHEMBL1156790

Cc1c(C=O)cc(-c2cnn(C)c2)n1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.39
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PDPK1 O15530 1/20 0.36
GRM2 Q14416 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
UBE2N P61088 1/20 0.35
KCNH2 Q12809 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
BRD4 O60885 1/20 0.34
FGFR1 P11362 1/20 0.34
CHEK1 O14757 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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 0.84 ALDH1A1 (0.43) KDM4EUBE2NBRD4CA12CA2
SCHEMBL1156358 0.80 HTR6 (0.44) ERN1HTR6
SCHEMBL31089804 0.79 PDPK1 (0.38) ERN1WNT1GSK3BDYRK1APDPK1
SCHEMBL1580762 0.79 WNT1 (0.38) WNT1GSK3BDYRK1APDPK1CCNA2
SCHEMBL1156778 0.78 PTGS2 (0.55) HTR6CA12CA2CA9
SCHEMBL1156312 0.78 CYP11B1 (0.39) ERN1HTR6KDM4E
SCHEMBL24165519 0.76 HDAC3 (0.40) WNT1GSK3BDYRK1APDPK1GRM2
SCHEMBL1156079 0.76 ERN1 (0.37) ERN1KDM4EUBE2NBRD4CA12
SCHEMBL1156583 0.76 PTGS2 (0.55) HTR6KDM4EUBE2NCA12CA2
SCHEMBL1156385 0.76 MMP2 (0.43) HTR6KDM4EUBE2NCA12CA2

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 2917/4885WNT1 3891/4885GSK3B 4722/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ERN1 2569/4885WNT1 3617/4885GSK3B 4728/4885
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 2644/4885WNT1 2258/4885GSK3B 4772/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ERN1 2937/4885WNT1 3875/4885GSK3B 4722/4885

“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.