SCHEMBL1156469

SCHEMBL1156469

O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTR6 P50406 2/20 0.41
GBA1 P04062 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 3/20 0.37
PTGS2 P35354 2/20 0.37
CYP11B1 P15538 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LIPE Q05469 1/20 0.37
NR3C1 P04150 1/20 0.35
MAPT P10636 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL25182339 0.90 SCN9A (0.39) HTR6NOD1PPARGPPARDPPARA
SCHEMBL25195640 0.89 NPSR1 (0.38) MEN1KMT2AHTR6GBA1NOD1
SCHEMBL31019959 0.89 NPSR1 (0.38) MEN1KMT2AHTR6GBA1NOD1
SCHEMBL25191142 0.86 HTR6 (0.40) MEN1KMT2AHTR6NOD1PPARG
SCHEMBL1156459 0.84 ALDH1A1 (0.54) MEN1KMT2AHTR6ALDH1A1MAPT
SCHEMBL1157289 0.84 ALDH1A1 (0.35) HTR6ALDH1A1PTGS2MAPT
SCHEMBL1156510 0.84 HTR6 (0.41) HTR6GBA1NOD1EPHX2PTGS2
SCHEMBL1157055 0.84 ALDH1A1 (0.45) MEN1KMT2AHTR6ALDH1A1MAPT
SCHEMBL1155962 0.83 ELAVL1 (0.45) HTR6ALDH1A1PTGS2MAPT
SCHEMBL1156769 0.81 PPARG (0.45) MEN1KMT2AHTR6GBA1NOD1

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 MEN1 2397/4885KMT2A 2240/4885HTR6 1438/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 MEN1 1854/4885KMT2A 2262/4885HTR6 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 MEN1 529/4885KMT2A 2049/4885HTR6 949/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 MEN1 2402/4885KMT2A 2255/4885HTR6 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.