SCHEMBL1156822

SCHEMBL1156822

CCOC(=O)c1c[nH]c(C2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
RAB9A P51151 2/20 0.41
FDFT1 P37268 1/20 0.41
POLB P06746 3/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 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
SCHEMBL20077990 0.99 CA12 (0.42) ALDH1A1ALOX15MAPK1NPC1KDM4E
SCHEMBL25008049 0.77 SMYD3 (0.43) ALDH1A1ALOX15NPC1RAB9ALMNA
SCHEMBL3000237 0.74 NOTUM (0.55) ALDH1A1MAPK1KDM4ECA12CA1
SCHEMBL16564121 0.73 HCAR2 (0.56) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL1789154 0.73 ALDH1A1 (0.63) ALDH1A1ALOX15MAPK1NPC1CA12
SCHEMBL3661895 0.72 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1NPC1CA12
SCHEMBL2518047 0.72 BAZ2B (0.56) ALDH1A1NPC1KDM4ECA12CA1
SCHEMBL1790402 0.71 KMO (0.61) ALDH1A1ALOX15MAPK1NPC1KDM4E
SCHEMBL4127272 0.71 HCAR2 (0.57) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL23498920 0.71 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA7

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 ALDH1A1 2529/4885ALOX15 1264/4885MAPK1 721/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885ALOX15 1570/4885MAPK1 619/4885
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 ALDH1A1 1764/4885ALOX15 58/4885MAPK1 548/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ALDH1A1 2505/4885ALOX15 1233/4885MAPK1 737/4885

“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.