SCHEMBL1156664

SCHEMBL1156664

CN(Cc1cc(-c2ccsc2)n(S(=O)(=O)c2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
GLS O94925 2/20 0.38
TNF P01375 2/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ABHD6 Q9BV23 1/20 0.33
HTR6 P50406 3/20 0.33
NR1H2 P55055 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1157089 0.91 BCL9 (0.35) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1157093 0.91 SLC1A3 (0.36) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1156569 0.90 SLC16A3 (0.37) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1156471 0.90 SLC16A3 (0.34) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1157164 0.89 HTR2C (0.42) HTR2CSLC6A4GLSTNFABHD6
SCHEMBL1156594 0.87 TNF (0.39) SLC16A3SLC16A1MCTS1TNFBCL9
SCHEMBL30894736 0.82 HTR2C (0.38) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1156752 0.81 AKR1C3 (0.40) HTR2CSLC6A4ABHD6
SCHEMBL1156621 0.80 HTR2C (0.42) HTR2CSLC6A4GLSTNFHTR6
SCHEMBL1157052 0.80 ABHD6 (0.39) HTR2CSLC6A4TNFABHD6NR1H2

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 SLC16A3 2315/4885SLC16A1 2009/4885MCTS1 4582/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 SLC16A3 2422/4885SLC16A1 1901/4885MCTS1 4362/4885
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 SLC16A3 2886/4885SLC16A1 2928/4885MCTS1 2482/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 SLC16A3 2326/4885SLC16A1 1996/4885MCTS1 4581/4885

“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.