SCHEMBL1156487

SCHEMBL1156487

CN(Cc1cc(Br)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NR1H2 P55055 8/20 0.35
NR1H3 Q13133 7/20 0.35
RORC P51449 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GLS O94925 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL30089413 0.90 HTR2C (0.36) HTR2CSLC6A4HDAC1HDAC2HDAC6
SCHEMBL1156621 0.90 HTR2C (0.42) HTR2CSLC6A4GLS
SCHEMBL2416549 0.89 RIPK1 (0.39) HTR2CSLC6A4
SCHEMBL30089348 0.89 HTR6 (0.40) HTR2CSLC6A4RORC
SCHEMBL1156562 0.89 HTR6 (0.40) HTR2CSLC6A4RORC
SCHEMBL2407643 0.88 CHRM5 (0.42) HDAC1MET
SCHEMBL4411752 0.88 HTR2C (0.41) HTR2CSLC6A4GLS
SCHEMBL31754845 0.87 RORC (0.42) NR1H3RORC
SCHEMBL29262658 0.86 TNFSF11 (0.46)
SCHEMBL4930746 0.85 CA12 (0.38) HDAC1HDAC2HDAC6MET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 HTR2C 924/4885SLC6A4 1316/4885GPR119 565/4885

“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.