SCHEMBL1156596

SCHEMBL1156596

COc1ccc(S(=O)(=O)n2cc(C=O)cc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2A6 P11509 1/20 0.45
HTT P42858 3/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
HTR6 P50406 4/20 0.44

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
SCHEMBL28702913 0.85 MET (0.46) PKMPKLRHDAC3HDAC1HDAC8
SCHEMBL1156134 0.81 PARL (0.42) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL29202309 0.81 HTR6 (0.37) ALDH1A1CYP2A6HTR6LMNAMAPT
SCHEMBL1156459 0.79 ALDH1A1 (0.54) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL17520472 0.78 HTR6 (0.41) HDAC1HDAC6ALDH1A1HTR6
SCHEMBL25189206 0.77 PTGS2 (0.45) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL1156479 0.77 PTGS2 (0.45) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL25182337 0.76 PKM (0.44) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL3369368 0.76 TUBB1 (0.44) PKMNPC1PKLRRAB9AHDAC3
SCHEMBL1156099 0.76 ALDH1A1 (0.51) HDAC3HDAC1HDAC8HDAC6HDAC4

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 PKM 1001/4885NPC1 594/4885PKLR 2385/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 PKM 1241/4885NPC1 596/4885PKLR 2279/4885
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 PKM 1250/4885NPC1 2260/4885PKLR 1076/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 PKM 985/4885NPC1 604/4885PKLR 2361/4885

“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.