SCHEMBL1156594

SCHEMBL1156594

CN(Cc1cc(-c2ccsc2)n(S(=O)(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.39
CHRM5 P08912 1/20 0.37
HTR6 P50406 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KAT6A Q92794 1/20 0.35
APAF1 O14727 1/20 0.35
UBE2N P61088 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
TNFSF11 O14788 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR2 O15552 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL1156934 0.91 BCL9 (0.36) TNFCA12CA1CA2CA9
SCHEMBL1156426 0.91 KMT2A (0.40) L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL1156772 0.90 AOC3 (0.39) HTR6APAF1UBE2NFFAR2BCL9
SCHEMBL1157048 0.89 NAMPT (0.38) CA12CA1CA2CA9
SCHEMBL1156474 0.88 HTR6 (0.41) TNFCHRM5HTR6CA12CA1
SCHEMBL1156664 0.87 SLC16A3 (0.39) TNFHTR6SLC16A3SLC16A1MCTS1
SCHEMBL1156256 0.80 PRMT6 (0.46) HTR6KAT6ASLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL1156593 0.79 PRMT6 (0.45) HTR6KAT6ASLC1A3SLC1A2SLC1A1
SCHEMBL1156447 0.79 AOC3 (0.43) HTR6APAF1UBE2N
SCHEMBL1157089 0.79 BCL9 (0.35) SLC16A3SLC16A1MCTS1BCL9CTNNB1

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 TNF 4195/4885CHRM5 2615/4885HTR6 1438/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 TNF 4199/4885CHRM5 2626/4885HTR6 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 TNF 1835/4885CHRM5 1301/4885HTR6 949/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 TNF 4191/4885CHRM5 2570/4885HTR6 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.