SCHEMBL1156746

SCHEMBL1156746

O=Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CYP2A6 P11509 1/20 0.43
HDAC1 Q13547 1/20 0.38
AKR1B1 P15121 1/20 0.36
ERN1 O75460 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
BCL2L1 Q07817 1/20 0.33
CCR2 P41597 1/20 0.33
TPSAB1 Q15661 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MMP13 P45452 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32

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
SCHEMBL1156990 0.80 HTT (0.42) HDAC1
SCHEMBL1157055 0.78 ALDH1A1 (0.45) HDAC1
SCHEMBL1156110 0.78 ADRB2 (0.42) CA2CYP2A6HDAC1AKR1B1CA1
Hydrochloric Acid SCHEMBL1156645 0.77 ADRB2 (0.41) CA2CYP2A6HDAC1AKR1B1CCR2
SCHEMBL1156091 0.74 ELAVL1 (0.38) CA2CYP2A6CA1CA9CA12
SCHEMBL1156609 0.73 GLO1 (0.36) CA2CYP2A6CA1CA9CA12
SCHEMBL1156187 0.73 KDM4E (0.51) CA2CA1
SCHEMBL1156533 0.73 RAPGEF4 (0.42) HDAC1
SCHEMBL1156254 0.73 ALOX5 (0.44)
SCHEMBL1155962 0.73 ELAVL1 (0.45) HDAC1

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 CA2 1199/4885CYP2A6 185/4885HDAC1 21/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 CA2 1157/4885CYP2A6 209/4885HDAC1 18/4885
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 CA2 4187/4885CYP2A6 344/4885HDAC1 687/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 CA2 1193/4885CYP2A6 186/4885HDAC1 21/4885

“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.