SCHEMBL1156087

SCHEMBL1156087

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 2/20 0.40
HTR6 P50406 3/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
MMP2 P08253 1/20 0.40
ACLY P53396 3/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM1A O60341 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1156785 0.88 ALDH1A1 (0.43) PTGDR2MAPTALDH1A1ACLYPTGS1
SCHEMBL1156385 0.88 MMP2 (0.43) MAPTMEN1ALDH1A1KMT2AHTR6
SCHEMBL1156778 0.80 PTGS2 (0.55) PTGDR2ALDH1A1HTR6ACLYPTGS1
SCHEMBL1156583 0.80 PTGS2 (0.55) PTGDR2MAPTHTR6ACLYPTGS1
SCHEMBL1156418 0.80 PTGDR2 (0.47) TP53PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL1156312 0.80 CYP11B1 (0.39) HTR6PTGS1PTGS2SMN1; SMN2
SCHEMBL1580748 0.78 PTGDR2 (0.41) TP53PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL1157153 0.78 ALDH1A1 (0.43) MAPTALDH1A1HTR6ACLY
SCHEMBL1156358 0.77 HTR6 (0.44) HTR6PTGS1PTGS2SMN1; SMN2
Hydrochloric Acid SCHEMBL1156984 0.77 PTGDR2 (0.41) TP53PTGDR2MEN1ALDH1A1KMT2A

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 TP53 4620/4885PTGDR2 614/4885MAPT 4669/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 TP53 4514/4885PTGDR2 699/4885MAPT 4660/4885
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 TP53 4572/4885PTGDR2 31/4885MAPT 4818/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 TP53 4619/4885PTGDR2 606/4885MAPT 4670/4885

“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.