SCHEMBL1156510

SCHEMBL1156510

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
GLO1 Q04760 1/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
KIF11 P52732 2/20 0.38
GBA1 P04062 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PTGS2 P35354 5/20 0.37
PTGS1 P23219 3/20 0.37
EPHX2 P34913 2/20 0.37
ACLY P53396 1/20 0.37
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP2C9 P11712 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
SCHEMBL1156047 0.89 NOX4 (0.40) HTR6KIF11PTGS2PTGS1CYP2C9
SCHEMBL25181128 0.88 PTPN1 (0.41) HTR6PTGS2PTGS1CYP2C9
SCHEMBL31019971 0.88 PTPN1 (0.41) HTR6PTGS2PTGS1CYP2C9
SCHEMBL1157289 0.88 ALDH1A1 (0.35) HTR6KIF11PTGS2PTGS1KDM4E
SCHEMBL1157055 0.87 ALDH1A1 (0.45) HTR6KDM4EUBE2NL3MBTL1
SCHEMBL1155962 0.86 ELAVL1 (0.45) HTR6PTGS2KDM4EUBE2N
SCHEMBL25203015 0.85 PTGS2 (0.41) HTR6NOD1PTGS2PTGS1KDM4E
SCHEMBL1278597 0.85 SLC40A1 (0.35) GBA1PTGS2PTGS1KDM4ECYP2C9
SCHEMBL1156469 0.84 MEN1 (0.41) HTR6GBA1NOD1PTGS2EPHX2
SCHEMBL1156187 0.83 KDM4E (0.51) HTR6NOD1KDM4EUBE2NL3MBTL1

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 HTR6 1438/4885GLO1 4359/4885MMP8 3235/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 HTR6 1293/4885GLO1 4373/4885MMP8 2327/4885
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 HTR6 949/4885GLO1 3783/4885MMP8 1243/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1412/4885GLO1 4348/4885MMP8 3254/4885

“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.