SCHEMBL1156583

SCHEMBL1156583

Cc1c(C=O)cc(-c2ccccc2)n1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.55
PTGS1 P23219 1/20 0.45
ALDH3A1 P30838 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
HTR6 P50406 2/20 0.40
ACLY P53396 1/20 0.40
PTGDR Q13258 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NOD1 Q9Y239 2/20 0.39
NOD2 Q9HC29 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
UBE2N P61088 1/20 0.38

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
SCHEMBL1156778 0.95 PTGS2 (0.55) PTGS2PTGS1ALDH3A1HTTPKM
SCHEMBL1156785 0.91 ALDH1A1 (0.43) PTGS2PTGS1LMNAMAPTHTT
SCHEMBL1156353 0.85 PTGS2 (0.48) PTGS2PTGS1PTGDR2PTGDRNOD1
SCHEMBL1156385 0.82 MMP2 (0.43) PTGS2PTGS1GAAMAPTHTR6
SCHEMBL1156087 0.80 TP53 (0.42) PTGS2PTGS1MAPTSMN1; SMN2PTGDR2
SCHEMBL1156572 0.80 ALDH1A1 (0.43) PTGS2PTGS1LMNAGAAMAPT
SCHEMBL1156358 0.79 HTR6 (0.44) PTGS2PTGS1SMN1; SMN2HTR6
SCHEMBL1156312 0.79 CYP11B1 (0.39) PTGS2PTGS1SMN1; SMN2HTR6KDM4E
SCHEMBL1156079 0.78 ERN1 (0.37) PTGS2PTGS1SMN1; SMN2PTGDR2KDM4E
SCHEMBL1580391 0.77 PTGS2 (0.42) PTGS2PTGS1ALDH3A1LMNAGAA

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 PTGS2 418/4885PTGS1 209/4885ALDH3A1 1959/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PTGS2 413/4885PTGS1 154/4885ALDH3A1 1947/4885
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 PTGS2 27/4885PTGS1 4/4885ALDH3A1 1521/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PTGS2 416/4885PTGS1 212/4885ALDH3A1 1923/4885

“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.