SCHEMBL1156785

SCHEMBL1156785

Cc1c(C=O)cc(-c2ccccc2)n1S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SRC P12931 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL1156385 0.91 MMP2 (0.43) ALDH1A1MAPTCA12CA2CA9
SCHEMBL1156778 0.91 PTGS2 (0.55) ALDH1A1CA12CA2CA9PTGS2
SCHEMBL1156583 0.91 PTGS2 (0.55) MAPTCA12CA2CA9PTGS2
SCHEMBL1156087 0.88 TP53 (0.42) ALDH1A1MAPTPTGS2PTGS1ACLY
SCHEMBL1156358 0.87 HTR6 (0.44) PTGS2PTGS1
SCHEMBL1156312 0.87 CYP11B1 (0.39) PTGS2PTGS1KDM4EPDE4APDE4B
SCHEMBL1156079 0.86 ERN1 (0.37) ALDH1A1CA12CA2CA9PTGS2
SCHEMBL1156790 0.84 ERN1 (0.39) CA12CA2CA9KDM4EUBE2N
SCHEMBL1157153 0.82 ALDH1A1 (0.43) ALDH1A1MAPTCA12CA2CA9
SCHEMBL1156572 0.82 ALDH1A1 (0.43) ALDH1A1MAPTCA12CA2CA9

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 ALDH1A1 2529/4885MAPT 4669/4885CA12 3711/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885MAPT 4660/4885CA12 3143/4885
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 ALDH1A1 1764/4885MAPT 4818/4885CA12 4727/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ALDH1A1 2505/4885MAPT 4670/4885CA12 3697/4885

“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.