SCHEMBL1156772

SCHEMBL1156772

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
FFAR2 O15552 1/20 0.39
APAF1 O14727 1/20 0.38
UBE2N P61088 1/20 0.38
LIMK2 P53671 1/20 0.38
TP53 P04637 1/20 0.37
HTR6 P50406 4/20 0.35
RIPK1 Q13546 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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 0.90 TNF (0.39) FFAR2APAF1UBE2NHTR6BCL9
SCHEMBL1156934 0.90 BCL9 (0.36) FFAR2APAF1UBE2NBCL9CTNNB1
SCHEMBL1156447 0.88 AOC3 (0.43) AOC3APAF1UBE2NLIMK2TP53
SCHEMBL1156569 0.88 SLC16A3 (0.37) AOC3FFAR2APAF1UBE2NHTR6
SCHEMBL1156570 0.87 LMNA (0.35) HTR6BCL9CTNNB1TAS2R14CTSL
SCHEMBL1156155 0.85 L3MBTL1 (0.42) AOC3LIMK2HTR6KMT2APTGDR2
SCHEMBL1157048 0.84 NAMPT (0.38) ALDH1A1PTGDR2
SCHEMBL1156426 0.83 KMT2A (0.40) LIMK2KMT2AALDH1A1PTGDR2
SCHEMBL1762992 0.81 PRMT6 (0.44) HTR6MEN1KMT2AALDH1A1
SCHEMBL1156777 0.81 AKR1C3 (0.37) HTR6MEN1KMT2AALDH1A1

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 AOC3 260/4885FFAR2 1997/4885APAF1 3227/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AOC3 351/4885FFAR2 2254/4885APAF1 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 AOC3 277/4885FFAR2 1702/4885APAF1 3257/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AOC3 265/4885FFAR2 1943/4885APAF1 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.