SCHEMBL1156522

SCHEMBL1156522

CS(=O)(=O)c1cccc(S(=O)(=O)n2cc(CCNC(=O)O)cc2-c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 7/20 0.39
VNN1 O95497 1/20 0.39
PTGS1 P23219 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.38
HTR6 P50406 1/20 0.37
POLB P06746 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL1156241 0.84 ALDH1A1 (0.44) NAMPTALDH1A1SMN1; SMN2POLB
SCHEMBL1763263 0.82 EPHX2 (0.47) NAMPTPTGS2VNN1PTGS1MET
SCHEMBL1156520 0.82 NAMPT (0.39) NAMPTALDH1A1PTGS2VNN1PTGS1
SCHEMBL1156830 0.82 NAMPT (0.43) NAMPTALDH1A1VNN1TSHR
Hydrochloric Acid SCHEMBL1156991 0.82 EPHX2 (0.46) NAMPTPTGS2VNN1PTGS1MET
SCHEMBL1977122 0.81 NAMPT (0.37) NAMPTPTGS2VNN1PTGS1MET
SCHEMBL1156614 0.81 ALDH1A1 (0.45) NAMPTALDH1A1TSHRPOLB
SCHEMBL3912952 0.81 ALDH1A1 (0.43) NAMPTALDH1A1TSHRSMN1; SMN2
SCHEMBL9988101 0.80 NAMPT (0.45) NAMPTALDH1A1PTGS2TSHRMAPK8
SCHEMBL3908504 0.80 ALDH1A1 (0.44) NAMPTALDH1A1TSHRSMN1; SMN2POLB

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 1097/4885ALDH1A1 2529/4885PTGS2 418/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 NAMPT 1309/4885ALDH1A1 2593/4885PTGS2 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 3695/4885ALDH1A1 1764/4885PTGS2 27/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 NAMPT 1091/4885ALDH1A1 2505/4885PTGS2 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.