SCHEMBL1157055

SCHEMBL1157055

O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTR6 P50406 11/20 0.44
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
ELAVL1 Q15717 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PARL Q9H300 2/20 0.38
KDM4E B2RXH2 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 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
SCHEMBL1156285 0.90 PKM (0.43) ALDH1A1MAPTHTR6ELAVL1MEN1
SCHEMBL1156254 0.90 ALOX5 (0.44) KDM4EUBE2NL3MBTL1
SCHEMBL1155962 0.90 ELAVL1 (0.45) ALDH1A1MAPTHTR6ELAVL1LMNA
SCHEMBL1156187 0.90 KDM4E (0.51) ALDH1A1MAPTHTR6LMNAHPGD
SCHEMBL1156716 0.88 MET (0.41) ALDH1A1MAPTHTR6HTR1ADRD2
SCHEMBL1156699 0.87 PAX8 (0.41) ALDH1A1MAPTHTR6L3MBTL1
SCHEMBL1156459 0.87 ALDH1A1 (0.54) ALDH1A1MAPTHTR6ELAVL1MEN1
SCHEMBL1156510 0.87 HTR6 (0.41) HTR6KDM4EUBE2NL3MBTL1
SCHEMBL1157289 0.87 ALDH1A1 (0.35) ALDH1A1MAPTHTR6HTR1ADRD2
SCHEMBL1156702 0.87 KDM4E (0.38) ALDH1A1MAPTHTR6KDM4EHDAC1

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 4669/4885HTR6 1438/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885MAPT 4660/4885HTR6 1293/4885
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 4818/4885HTR6 949/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ALDH1A1 2505/4885MAPT 4670/4885HTR6 1412/4885

“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.