SCHEMBL1156447

SCHEMBL1156447

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
LIMK2 P53671 1/20 0.43
TP53 P04637 1/20 0.43
APAF1 O14727 1/20 0.41
UBE2N P61088 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PIN1 Q13526 1/20 0.40
HTR6 P50406 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL1156155 0.92 L3MBTL1 (0.42) AOC3LIMK2KMT2AHTR6
SCHEMBL1156474 0.90 HTR6 (0.41) MEN1KMT2AHTR6GAAALDH1A1
SCHEMBL1156772 0.88 AOC3 (0.39) AOC3LIMK2TP53APAF1UBE2N
SCHEMBL1156892 0.85 AKR1C3 (0.47) APAF1UBE2NMEN1KMT2AHTT
SCHEMBL1156453 0.85 GAA (0.44) AOC3APAF1UBE2NMEN1KMT2A
SCHEMBL1156158 0.85 LIMK2 (0.42) AOC3LIMK2APAF1UBE2NMEN1
SCHEMBL1156430 0.85 HTR6 (0.41) HTR6
SCHEMBL1156641 0.84 AKR1C3 (0.45) TP53APAF1UBE2NMEN1KMT2A
SCHEMBL1156962 0.82 ALDH1A1 (0.49) MEN1KMT2AGAAALDH1A1
SCHEMBL1156943 0.81 CHRM1 (0.37) TP53MEN1KMT2AHTTALDH1A1

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 AOC3 260/4885LIMK2 4823/4885TP53 4620/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AOC3 351/4885LIMK2 4832/4885TP53 4514/4885
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 AOC3 277/4885LIMK2 4792/4885TP53 4572/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AOC3 265/4885LIMK2 4824/4885TP53 4619/4885

“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.