SCHEMBL1156769

SCHEMBL1156769

O=S(=O)(c1ccc(OC(F)(F)F)cc1)n1cc(CO)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
HTR6 P50406 2/20 0.42
NOD1 Q9Y239 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
EPHX2 P34913 2/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GBA1 P04062 1/20 0.40
SERPINE1 P05121 2/20 0.40
CNR2 P34972 1/20 0.40
NR3C1 P04150 1/20 0.39
LIPE Q05469 1/20 0.39
CHRM5 P08912 2/20 0.38

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
SCHEMBL1580487 0.86 EPHX2 (0.43) PPARGPPARDPPARAHTR6NOD1
Hydrochloric Acid SCHEMBL1156941 0.85 EPHX2 (0.42) PPARGPPARDPPARAHTR6NOD1
SCHEMBL1155885 0.83 ELAVL1 (0.47) HTR6PTGS2MEN1KMT2A
SCHEMBL1156147 0.81 L3MBTL1 (0.52) HTR6NOD1PTGS2
SCHEMBL1156469 0.81 MEN1 (0.41) PPARGPPARDPPARAHTR6NOD1
SCHEMBL1156119 0.80 CHRNA7 (0.46) PPARGPPARDPPARAHTR6NOD1
SCHEMBL30427259 0.74 PPARG (0.38) PPARGPPARDPPARAHTR6NOD1
SCHEMBL30427350 0.74 TRPA1 (0.40) PPARGPPARDPPARAHTR6EPHX2
SCHEMBL25195640 0.73 NPSR1 (0.38) PPARGPPARDPPARAHTR6NOD1
SCHEMBL31019959 0.73 NPSR1 (0.38) PPARGPPARDPPARAHTR6NOD1

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 PPARG 1093/4885PPARD 1047/4885PPARA 1668/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PPARG 1361/4885PPARD 1287/4885PPARA 1914/4885
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 PPARG 417/4885PPARD 955/4885PPARA 813/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PPARG 1075/4885PPARD 1019/4885PPARA 1639/4885

“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.