SCHEMBL1156418

SCHEMBL1156418

Cc1c(CO)cc(-c2ccccc2)n1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
ACLY P53396 5/20 0.41
HTR6 P50406 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
PGR P06401 1/20 0.40
MMP2 P08253 1/20 0.39
TP53 P04637 1/20 0.39
GBA1 P04062 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
SCHEMBL1580748 0.86 PTGDR2 (0.41) PTGDR2ACLYHTR6MEN1KMT2A
Hydrochloric Acid SCHEMBL1156984 0.85 PTGDR2 (0.41) PTGDR2ACLYHTR6MEN1KMT2A
SCHEMBL1156195 0.81 PTGS2 (0.56) PTGDR2
SCHEMBL1156087 0.80 TP53 (0.42) PTGDR2ACLYHTR6MEN1KMT2A
SCHEMBL1156070 0.79 CHRNA7 (0.56) PTGDR2MEN1KMT2AALDH1A1TP53
SCHEMBL1156389 0.78 ALDH1A1 (0.42) ACLYHTR6ALDH1A1
SCHEMBL1156096 0.76 PTGDR2 (0.39) PTGDR2ALDH1A1
SCHEMBL1580847 0.74 MMP2 (0.41) ACLYHTR6MEN1KMT2AALDH1A1
SCHEMBL1580507 0.74 MAPT (0.40) PTGDR2HTR6ALDH1A1
SCHEMBL1156353 0.73 PTGS2 (0.48) PTGDR2

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 PTGDR2 614/4885ACLY 498/4885HTR6 1438/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PTGDR2 699/4885ACLY 479/4885HTR6 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 PTGDR2 31/4885ACLY 4070/4885HTR6 949/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGDR2 606/4885ACLY 501/4885HTR6 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.