SCHEMBL1156430

SCHEMBL1156430

CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(C#N)c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
PPME1 Q9Y570 2/20 0.40
KAT6A Q92794 1/20 0.39
TNFSF11 O14788 1/20 0.37
ADAMTS4 O75173 1/20 0.37
ACLY P53396 1/20 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
F10 P00742 1/20 0.36
MCOLN3 Q8TDD5 1/20 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
SCHEMBL1156392 0.88 RORC (0.40) HTR6CTSGCMA1PPME1
SCHEMBL1156474 0.87 HTR6 (0.41) HTR6TNFSF11CA12CA1CA2
SCHEMBL1156828 0.87 PTGER2 (0.40) HTR6KAT6AADAMTS4
SCHEMBL1156393 0.86 PPME1 (0.40) HTR6CTSGCMA1PPME1KAT6A
SCHEMBL1156447 0.85 AOC3 (0.43) HTR6
SCHEMBL4425741 0.84 PPME1 (0.36) HTR6CTSGCMA1PPME1
SCHEMBL1156453 0.83 GAA (0.44) CA12CA1CA2CA9
SCHEMBL1156892 0.83 AKR1C3 (0.47)
SCHEMBL1580309 0.82 CTSG (0.44) HTR6CTSGCMA1PPME1KAT6A
SCHEMBL3906141 0.82 PDK1 (0.39) HTR6

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 HTR6 1438/4885CTSG 990/4885CMA1 84/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 HTR6 1293/4885CTSG 905/4885CMA1 70/4885
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 949/4885CTSG 4513/4885CMA1 895/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1412/4885CTSG 989/4885CMA1 85/4885

“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.