SCHEMBL1156601

SCHEMBL1156601

COC(=O)c1ccccc1S(=O)(=O)n1cc(CN(C)C(=O)OC(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
GLS O94925 1/20 0.36
NR1H2 P55055 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1156637 0.92 FABP4 (0.40) TRPV4HTR2CSLC6A4GLSNR1H2
SCHEMBL1157164 0.85 HTR2C (0.42) TRPV4HTR2CSLC6A4GLSNR1H2
SCHEMBL1156368 0.85 CTSG (0.42) KDM4ETRPV4HTR2CSLC6A4MEN1
SCHEMBL1156675 0.82 HTR2C (0.41) TRPV4HTR2CSLC6A4GLSPOLB
SCHEMBL30894736 0.80 HTR2C (0.38) TRPV4HTR2CSLC6A4GLSNR1H2
SCHEMBL1156802 0.80 KDM4E (0.44) KDM4EHPGDPDE4APDE4BPDE4C
SCHEMBL30131145 0.80 FABP4 (0.40) KDM4ETRPV4HTR2CSLC6A4GLS
SCHEMBL1156752 0.80 AKR1C3 (0.40) HTR2CSLC6A4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1156924 0.79 KDM4E (0.43) KDM4EHPGDPDE4APDE4BPDE4C
SCHEMBL1156879 0.79 AKR1C3 (0.41) KDM4EHPGDTRPV4HTR2CSLC6A4

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 KDM4E 2114/4885HPGD 48/4885TRPV4 2946/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 KDM4E 2305/4885HPGD 59/4885TRPV4 3023/4885
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 KDM4E 887/4885HPGD 67/4885TRPV4 2761/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 KDM4E 2128/4885HPGD 47/4885TRPV4 2931/4885

“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.