SCHEMBL1156512

SCHEMBL1156512

CCOC(=O)c1cc(-c2ccc(F)cc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.61
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1156451 0.93 CHRNA7 (0.66) CHRNA7NOD2NOD1PTGS2GABRA2
SCHEMBL1156309 0.91 CHRNA7 (0.49) CHRNA7NOD2NOD1ALDH1A1TP53
SCHEMBL1156542 0.87 CHRNA7 (0.60) CHRNA7NOD2NOD1ALDH1A1MAPT
SCHEMBL1156302 0.87 CHRNA7 (0.59) CHRNA7NOD2NOD1
SCHEMBL1156681 0.82 CHRNA7 (0.49) CHRNA7NOD2NOD1ALDH1A1L3MBTL1
SCHEMBL1156119 0.80 CHRNA7 (0.46) CHRNA7NOD2NOD1PTGS2ALDH1A1
SCHEMBL1278231 0.79 CHRNA7 (0.43) CHRNA7ALDH1A1GABRA2GABRB2TP53
SCHEMBL1156322 0.78 NOD2 (0.50) CHRNA7NOD2NOD1ALDH1A1L3MBTL1
SCHEMBL1155963 0.76 TP53 (0.48) CHRNA7ALDH1A1L3MBTL1GABRA2GABRB2
SCHEMBL1156482 0.74 TRPA1 (0.39) PTGS2

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 CHRNA7 3394/4885NOD2 3347/4885NOD1 1966/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 CHRNA7 3439/4885NOD2 3508/4885NOD1 2086/4885
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 CHRNA7 3379/4885NOD2 1412/4885NOD1 632/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 CHRNA7 3312/4885NOD2 3364/4885NOD1 1933/4885

“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.