SCHEMBL1156705

SCHEMBL1156705

N#Cc1ccccc1S(=O)(=O)n1cc(CCNC(=O)O)cc1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
AR P10275 2/20 0.36
NAMPT P43490 1/20 0.36
TSHR P16473 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ASAH1 Q13510 1/20 0.35
PTGFR P43088 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 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
SCHEMBL2410817 0.83 SLC40A1 (0.34) NPC1RAB9AALDH1A1KDM4E
SCHEMBL1157223 0.83 BRAF (0.44) BRAFMEN1KMT2AALDH1A1KDM4E
SCHEMBL1156704 0.82 BRAF (0.42) BRAFSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1156865 0.82 BRAF (0.40) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL1156830 0.80 NAMPT (0.43) MEN1KMT2AALDH1A1NAMPTTSHR
SCHEMBL1156870 0.80 BRAF (0.41) BRAFMEN1NPC1RAB9AKMT2A
SCHEMBL1156300 0.80 KDM4E (0.37) KDM4EMAPT
SCHEMBL3906144 0.79 ALDH1A1 (0.43) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL1156522 0.78 NAMPT (0.42) SMN1; SMN2ALDH1A1NAMPTTSHRMAPK8
SCHEMBL3904969 0.78 ALDH1A1 (0.40) SMN1; SMN2MEN1NPC1RAB9AKMT2A

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 BRAF 2092/4885SMN1; SMN2 4267/4885MEN1 2397/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 BRAF 1937/4885SMN1; SMN2 4075/4885MEN1 1854/4885
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 BRAF 2877/4885SMN1; SMN2 2491/4885MEN1 529/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 BRAF 2101/4885SMN1; SMN2 4245/4885MEN1 2402/4885

“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.