SCHEMBL1156637

SCHEMBL1156637

CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.40
FABP3 P05413 1/20 0.40
FABP5 Q01469 1/20 0.40
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
GLS O94925 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
STAT5B P51692 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.34
TACR1 P25103 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
SCHEMBL1156601 0.92 KDM4E (0.39) HTR2CSLC6A4TRPV4GLSABHD6
SCHEMBL30131145 0.88 FABP4 (0.40) FABP4FABP3FABP5HTR2CSLC6A4
SCHEMBL1157164 0.88 HTR2C (0.42) HTR2CSLC6A4TRPV4GLSABHD6
SCHEMBL1156675 0.84 HTR2C (0.41) HTR2CSLC6A4TRPV4GLSABHD6
SCHEMBL1156752 0.84 AKR1C3 (0.40) HTR2CSLC6A4ABHD6SMN1; SMN2MEN1
SCHEMBL30894736 0.83 HTR2C (0.38) HTR2CSLC6A4TRPV4GLSABHD6
SCHEMBL1278159 0.81 HTR2C (0.39) HTR2CSLC6A4TRPV4GLSABHD6
SCHEMBL1156707 0.81 AKR1C3 (0.42) HTR2CSLC6A4MEN1ALDH1A1KMT2A
SCHEMBL1157052 0.81 ABHD6 (0.39) HTR2CSLC6A4TRPV4ABHD6MEN1
SCHEMBL1156602 0.80 ALDH1A1 (0.41) HTR2CSLC6A4GLSABHD6SMN1; SMN2

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 FABP4 4257/4885FABP3 3894/4885FABP5 3705/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 FABP4 4375/4885FABP3 3935/4885FABP5 3934/4885
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 FABP4 3232/4885FABP3 1581/4885FABP5 1544/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 FABP4 4242/4885FABP3 3893/4885FABP5 3691/4885

“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.