SCHEMBL1156934

SCHEMBL1156934

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
APAF1 O14727 1/20 0.35
UBE2N P61088 1/20 0.35
FFAR2 O15552 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TNF P01375 1/20 0.33
KAT6A Q92794 1/20 0.33
MET P08581 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LOX P28300 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1156594 0.91 TNF (0.39) BCL9CTNNB1APAF1UBE2NFFAR2
SCHEMBL1156772 0.90 AOC3 (0.39) BCL9CTNNB1APAF1UBE2NFFAR2
SCHEMBL1157089 0.87 BCL9 (0.35) BCL9CTNNB1ALDH1A1MEN1KMT2A
SCHEMBL1157048 0.85 NAMPT (0.38) PTGDR2CA12CA1CA2CA9
SCHEMBL1156426 0.84 KMT2A (0.40) PTGDR2ALDH1A1KMT2A
SCHEMBL1156520 0.82 NAMPT (0.39) METALDH1A1
SCHEMBL1763110 0.81 PRMT6 (0.45) KAT6AMETALDH1A1LOXGAA
Hydrochloric Acid SCHEMBL1156643 0.80 PRMT6 (0.44) KAT6AMETALDH1A1LOXGAA
SCHEMBL4930746 0.79 CA12 (0.38) APAF1UBE2NPTGDR2CA12CA1
SCHEMBL1156664 0.79 SLC16A3 (0.39) BCL9CTNNB1TNF

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 3897/4885APAF1 3227/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 BCL9 4198/4885CTNNB1 3917/4885APAF1 3200/4885
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 3381/4885APAF1 3257/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 BCL9 4018/4885CTNNB1 3882/4885APAF1 3192/4885

“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.