SCHEMBL1640109

SCHEMBL1640109

CS(=O)(=O)c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.35
P2RX7 Q99572 1/20 0.34
VNN1 O95497 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
LOX P28300 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
GLO1 Q04760 1/20 0.31
CYP11B2 P19099 1/20 0.30

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
SCHEMBL31005932 1.00 GOT1 (0.35) GOT1P2RX7VNN1PER2CRY1
SCHEMBL7345455 0.81 GOT1 (0.38) GOT1P2RX7CTDSP1CYP1A2CYP11B2
SCHEMBL329940 0.79 GOT1 (0.37) GOT1P2RX7CYP1A2CYP11B2
SCHEMBL7882127 0.78 PSIP1 (0.40) GOT1P2RX7PER2CRY1CRY2
SCHEMBL25213053 0.77 ALDH1A1 (0.41) GOT1P2RX7CYP1A2CYP11B2
SCHEMBL1076498 0.77 GOT1 (0.40) GOT1P2RX7LMNACYP1A2
SCHEMBL4460091 0.77 GOT1 (0.35) GOT1P2RX7PER2CRY1CRY2
SCHEMBL22767204 0.77 GOT1 (0.35) GOT1P2RX7PER2CRY1CRY2
SCHEMBL29892805 0.77 NAPRT (0.42) GOT1P2RX7PER2CRY1CRY2
SCHEMBL5407665 0.77 NAPRT (0.42) GOT1P2RX7PER2CRY1CRY2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112367986-A Novel lipids 萨恩帕斯药物有限公司 2021-02-12 CN claimed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO claimed
CN-112367986-A Novel lipids 萨恩帕斯药物有限公司 2021-02-12 CN disclosed
CN-110869026-A Compositions and methods for reducing cardiotoxicity 萨恩帕斯药物有限公司 2020-03-06 CN disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-3419971-A1 GLYCOSIDASE INHIBITORS Asceneuron SA (CH) 2019-01-02 EP disclosed
EP-3419972-A1 GLYCOSIDASE INHIBITORS Asceneuron SA (CH) 2019-01-02 EP disclosed
WO-2017144633-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144639-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP 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
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
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
US-5776858-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-07-07 US disclosed
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 US 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 (3 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-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 GOT1 2045/4885P2RX7 668/4885VNN1 987/4885
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 GOT1 1238/4885P2RX7 734/4885VNN1 2035/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 GOT1 2371/4885P2RX7 1501/4885VNN1 1634/4885

“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.