SCHEMBL1157093

SCHEMBL1157093

CN(Cc1cc(-c2ccsc2)n(S(=O)(=O)c2ccc(F)cc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRM2 Q14416 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
MMP8 P22894 2/20 0.33
RORC P51449 2/20 0.33
MMP3 P08254 1/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1156664 0.91 SLC16A3 (0.39) SLC1A3SLC1A2SLC1A1SLC16A3SLC16A1
SCHEMBL1156426 0.87 KMT2A (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1HPGD
SCHEMBL1157089 0.86 BCL9 (0.35) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1156569 0.85 SLC16A3 (0.37) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1156471 0.84 SLC16A3 (0.34) SLC16A3SLC16A1MCTS1HTR2CSLC6A4
SCHEMBL1157096 0.81 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ALDH1A1KMT2A
SCHEMBL1156883 0.81 HTR6 (0.39) GRM2HTR2CSLC6A4RORCHTR2A
SCHEMBL1157164 0.80 HTR2C (0.42) HTR2CSLC6A4GLSHTR6
SCHEMBL2414740 0.80 HTR2C (0.37) GRM2KAT6AKAT5HTR2CSLC6A4
SCHEMBL1156910 0.80 L3MBTL1 (0.39) SLC16A3SLC16A1MCTS1HTR2CSLC6A4

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 SLC1A3 1705/4885SLC1A2 1872/4885SLC1A1 1852/4885

“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.