SCHEMBL1156348

SCHEMBL1156348

O=S(=O)(c1ccccc1)n1c(Cl)c(CO)c(F)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.39
▸ PTGDR Q13258 3/20 0.39
▸ AGTR1 P30556 2/20 0.36
▸ SRC P12931 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ACLY P53396 1/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KAT6A Q92794 1/20 0.33

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
SCHEMBL1580799 0.83 PTGDR (0.37) PTGDR2PTGDRAGTR1PTGS2PTGS1
Hydrochloric Acid SCHEMBL1157423 0.82 PTGDR (0.36) PTGDR2PTGDRAGTR1PTGS2PTGS1
SCHEMBL1156539 0.78 PTGS2 (0.36) AGTR1SRCPTGS2PTGS1ACLY
SCHEMBL1156296 0.74 AR (0.48) AGTR1PKMNOD1LMNAGAA
SCHEMBL15565794 0.73 AGTR1 (0.48) PTGDR2PTGDRAGTR1SRCHTR6
SCHEMBL1156297 0.72 PTGDR2 (0.44) PTGDR2PTGDRAGTR1SRCACLY
SCHEMBL1156421 0.69 HTR6 (0.48) HTR6LMNA
SCHEMBL1156389 0.69 ALDH1A1 (0.42) AGTR1SRCPTGS2PPARGPPARD
SCHEMBL1156381 0.67 ACLY (0.43) PTGDR2PTGDRAGTR1SRCPTGS2
SCHEMBL3564623 0.64 PTGDR2 (0.54) PTGDR2PTGDRAGTR1SRCACLY

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 PTGDR2 614/4885PTGDR 269/4885AGTR1 1794/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PTGDR2 699/4885PTGDR 317/4885AGTR1 1718/4885
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 PTGDR2 31/4885PTGDR 13/4885AGTR1 1836/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGDR2 606/4885PTGDR 260/4885AGTR1 1851/4885

“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.

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