SCHEMBL1157089

SCHEMBL1157089

CN(Cc1cc(-c2ccsc2)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
GLS O94925 1/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MCTS1 Q9ULC4 2/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
RORC P51449 2/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
GPR119 Q8TDV5 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL1156664 0.91 SLC16A3 (0.39) BCL9CTNNB1GLSSLC16A3SLC16A1
SCHEMBL1156569 0.91 SLC16A3 (0.37) BCL9CTNNB1GLSSLC16A3SLC16A1
SCHEMBL1156934 0.87 BCL9 (0.36) BCL9CTNNB1MEN1ALDH1A1KMT2A
SCHEMBL1156471 0.86 SLC16A3 (0.34) GLSSLC16A3SLC16A1MCTS1HTR2C
SCHEMBL1157093 0.86 SLC1A3 (0.36) GLSSLC16A3SLC16A1MCTS1HTR2C
SCHEMBL1156915 0.84 NAMPT (0.35) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL29262672 0.82 HTR2C (0.35) GLSSLC16A3SLC16A1MCTS1HTR2C
SCHEMBL1156487 0.82 HTR2C (0.36) GLSHTR2CSLC6A4RORCNR1H2
SCHEMBL1157164 0.80 HTR2C (0.42) GLSHTR2CSLC6A4NR1H2ABHD6
SCHEMBL30894736 0.79 HTR2C (0.38) GLSSLC16A3SLC16A1MCTS1HTR2C

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 BCL9 4019/4885CTNNB1 3897/4885GLS 1586/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 BCL9 4198/4885CTNNB1 3917/4885GLS 1010/4885
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 BCL9 2475/4885CTNNB1 3381/4885GLS 1695/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 BCL9 4018/4885CTNNB1 3882/4885GLS 1522/4885

“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.