SCHEMBL1156422

SCHEMBL1156422

CCCCc1cc(C=O)cn1S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.38
AGTR1 P30556 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
METAP2 P50579 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1579999 0.77 HTR6 (0.43) HTR6AGTR1HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL1156811 0.76 HTR6 (0.42) HTR6AGTR1HTR1ADRD2HTR1D
SCHEMBL1156310 0.74 SMN1; SMN2 (0.43) AGTR1KDM4EPPARGPPARAALDH1A1
SCHEMBL16347455 0.74 RAPGEF4 (0.55) HTR6KDM4EUBE2NALDH1A1TSHR
SCHEMBL1156134 0.73 PARL (0.42) HTR6KDM4EUBE2NALDH1A1TSHR
SCHEMBL1157055 0.72 ALDH1A1 (0.45) HTR6HTR1ADRD2HTR7KDM4E
SCHEMBL725696 0.69 SMN1; SMN2 (0.39) HTR6AGTR1HTR1ADRD2HTR1D
SCHEMBL1156715 0.69 ACHE (0.41) HTR6DRD3KDM4EUBE2NALDH1A1
SCHEMBL1156275 0.68 BRD4 (0.42) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1156285 0.67 PKM (0.43) HTR6KDM4EALDH1A1LMNASMN1; 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 HTR6 1438/4885AGTR1 1794/4885HTR1A 500/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 HTR6 1293/4885AGTR1 1718/4885HTR1A 499/4885
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 949/4885AGTR1 1836/4885HTR1A 80/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR6 1412/4885AGTR1 1851/4885HTR1A 479/4885

“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.