SCHEMBL1156549

SCHEMBL1156549

COC(=O)c1cn(S(=O)(=O)c2ccc(F)cc2)c(-c2ccccc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH3A1 P30838 1/20 0.41
ELAVL1 Q15717 1/20 0.41
FBP1 P09467 1/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
GABRA1 P14867 1/20 0.39

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
SCHEMBL1156669 0.92 KMT2A (0.61) KMT2AMEN1LMNAKDM4EHSD17B10
SCHEMBL14344153 0.88 AKR1C3 (0.45) KMT2AMEN1LMNAKDM4EALDH3A1
SCHEMBL1156985 0.81 MEN1 (0.49) KMT2AMEN1SLC6A3KDM4EHSD17B10
SCHEMBL1156189 0.81 KMT2A (0.47) KMT2AMEN1SLC6A4SLC6A3LMNA
SCHEMBL1156321 0.79 KMT2A (0.61) KMT2AMEN1LMNAKDM4EHSD17B10
SCHEMBL1156559 0.79 TSHR (0.52) KMT2AMEN1LMNAKDM4ETSHR
SCHEMBL1156191 0.76 KDM4E (0.49) LMNAKDM4EALDH3A1ELAVL1GAA
SCHEMBL1580773 0.75 HTR6 (0.46) KDM4EALDH3A1ELAVL1PKMCYP2D6
SCHEMBL1156229 0.75 KMT2A (0.62) KMT2AMEN1LMNAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL1157184 0.74 HTR6 (0.45) KDM4EALDH3A1ELAVL1PKMCYP2D6

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 KMT2A 2240/4885MEN1 2397/4885SLC6A4 1331/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 KMT2A 2262/4885MEN1 1854/4885SLC6A4 1441/4885
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 KMT2A 2049/4885MEN1 529/4885SLC6A4 730/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 KMT2A 2255/4885MEN1 2402/4885SLC6A4 1316/4885

“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.