SCHEMBL1156897

SCHEMBL1156897

CNCc1cc(-c2cccnc2)n(S(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
EPHX2 P34913 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP2A6 P11509 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2E1 P05181 3/20 0.38
CYP2B6 P20813 3/20 0.38
PIK3CA P42336 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL1580633 0.93 HTR6 (0.40) HTR6EPHX2PRMT6CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL1156896 0.92 HTR6 (0.40) HTR6EPHX2PRMT6CYP11B1CYP11B2
SCHEMBL1580507 0.88 MAPT (0.40) HTR6ALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL1156960 0.87 MAPT (0.40) HTR6ALDH1A1PTGDR2
SCHEMBL1580762 0.81 WNT1 (0.38) HTR6EPHX2
SCHEMBL1762901 0.81 CHRNB2 (0.39) KMT2AALDH1A1
SCHEMBL1580847 0.81 MMP2 (0.41) HTR6KMT2AALDH1A1
SCHEMBL1580599 0.81 PTGDR2 (0.42) PTGDR2
SCHEMBL1580391 0.81 PTGS2 (0.42) PTGDR2
Hydrochloric Acid SCHEMBL1157074 0.80 PTGDR2 (0.42) ALDH1A1PTGDR2

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 15 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
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 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
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP 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-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO 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 (6 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 HTR6 1438/4885EPHX2 1309/4885PRMT6 2711/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 HTR6 1293/4885EPHX2 1595/4885PRMT6 2255/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885EPHX2 3180/4885PRMT6 4087/4885
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 HTR6 949/4885EPHX2 3057/4885PRMT6 1537/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1412/4885EPHX2 1287/4885PRMT6 2705/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTR6 1727/4885EPHX2 3180/4885PRMT6 4087/4885

“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.