SCHEMBL1156777

SCHEMBL1156777

O=C(O)NCCc1cc(-c2ccsc2)n(S(=O)(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
FBP1 P09467 7/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.36
IDH2 P48735 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR6 P50406 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
IDO1 P14902 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL1156448 0.88 KMT2A (0.43) AKR1C3FBP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1156157 0.85 HTR6 (0.43) AKR1C3FBP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3908504 0.84 ALDH1A1 (0.44) KMT2AALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL1156427 0.83 KMT2A (0.37) KMT2AMEN1IDH2TAAR1
SCHEMBL1762992 0.81 PRMT6 (0.44) FBP1KMT2AALDH1A1MEN1HTR6
SCHEMBL1156772 0.81 AOC3 (0.39) KMT2AALDH1A1MEN1HTR6
SCHEMBL1156567 0.81 SLC1A3 (0.34) IDH2HTR6DRD2CPT1ACPT1B
Hydrochloric Acid SCHEMBL1156568 0.81 PRMT6 (0.44) FBP1KMT2AALDH1A1MEN1HTR6
SCHEMBL1156161 0.80 HTR6 (0.43) AKR1C3FBP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1156570 0.78 LMNA (0.35) KMT2AALDH1A1MEN1IDH2HTR6

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 AKR1C3 1389/4885FBP1 661/4885KMT2A 2240/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AKR1C3 1458/4885FBP1 598/4885KMT2A 2262/4885
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 AKR1C3 512/4885FBP1 2201/4885KMT2A 2049/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AKR1C3 1403/4885FBP1 642/4885KMT2A 2255/4885

“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.