SCHEMBL1156520

SCHEMBL1156520

CN(Cc1cc(-c2cccnc2)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
MET P08581 1/20 0.39
PTGS2 P35354 5/20 0.38
VNN1 O95497 1/20 0.38
CYP11B1 P15538 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
PTGS1 P23219 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1156915 0.88 NAMPT (0.35) NAMPTMETPTGS2VNN1CYP11B1
SCHEMBL1977125 0.87 ALDH1A1 (0.39) NAMPTMETPTGS2VNN1CYP11B1
SCHEMBL1156237 0.85 PTGDR2 (0.41) NAMPTCYP11B1ALDH1A1
SCHEMBL1156828 0.83 PTGER2 (0.40) NAMPTCYP11B1ALDH1A1MAPK1
SCHEMBL1156522 0.82 NAMPT (0.42) NAMPTMETPTGS2VNN1ALDH1A1
SCHEMBL1156934 0.82 BCL9 (0.36) METALDH1A1
SCHEMBL1156610 0.82 PTGER2 (0.43) NAMPTALDH1A1
SCHEMBL3912949 0.81 PDE10A (0.39) NAMPTALDH1A1LMNA
SCHEMBL1763263 0.81 EPHX2 (0.47) NAMPTMETPTGS2VNN1PTGS1
Hydrochloric Acid SCHEMBL1156991 0.81 EPHX2 (0.46) NAMPTMETPTGS2VNN1PTGS1

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 8 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
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 NAMPT 1097/4885MET 3228/4885PTGS2 418/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NAMPT 1309/4885MET 3092/4885PTGS2 413/4885
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 NAMPT 3695/4885MET 2472/4885PTGS2 27/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NAMPT 1091/4885MET 3253/4885PTGS2 416/4885

“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.