SCHEMBL1156479

SCHEMBL1156479

COc1ccc(-c2cc(C=O)cn2S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
GPR183 P32249 1/20 0.43
HTR6 P50406 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
STAT3 P40763 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
RAB9A P51151 1/20 0.40
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
APAF1 O14727 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL25189206 1.00 PTGS2 (0.45) PTGS2GPR183HTR6CYP3A4CYP2D6
SCHEMBL1155193 0.90 PTGS2 (0.42) PTGS2HTR6PKM
SCHEMBL1156459 0.88 ALDH1A1 (0.54) HTR6ALDH1A1KDM4ENPC1PKM
SCHEMBL25188871 0.87 ALDH1A1 (0.41) PTGS2HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL31019966 0.87 ALDH1A1 (0.41) PTGS2HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL1156049 0.86 LMNA (0.44) PTGS2GPR183KDM4EPKM
SCHEMBL25182339 0.86 SCN9A (0.39) PTGS2HTR6
SCHEMBL25194800 0.85 GPR183 (0.39) GPR183HTR6CYP3A4CYP2D6ALDH1A1
SCHEMBL25186962 0.84 HTR6 (0.40) PTGS2GPR183HTR6CYP3A4CYP2D6
SCHEMBL25189057 0.84 GPR183 (0.40) PTGS2GPR183HTR6ALDH1A1MAPT

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 PTGS2 418/4885GPR183 3636/4885HTR6 1438/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PTGS2 413/4885GPR183 3396/4885HTR6 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 PTGS2 27/4885GPR183 2563/4885HTR6 949/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGS2 416/4885GPR183 3612/4885HTR6 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.