SCHEMBL1157096

SCHEMBL1157096

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

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
PTGDR2 Q9Y5Y4 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
IDH2 P48735 1/20 0.33
HTT P42858 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRM5 P08912 1/20 0.31
PDK1 Q15118 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1156426 0.86 KMT2A (0.40) SLC1A3SLC1A2SLC1A1PTGDR2ALDH1A1
SCHEMBL1156570 0.85 LMNA (0.35) PTGDR2ALDH1A1IDH2CHRM5TAS2R14
SCHEMBL1156472 0.84 PTGER2 (0.36) PTGDR2ALDH1A1KDM4E
SCHEMBL1157093 0.81 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1ALDH1A1KDM4E
SCHEMBL1156885 0.81 PTGDR2 (0.40) PTGDR2ALDH1A1CHRM5TAS2R14KMT2A
SCHEMBL2414742 0.79 PKM (0.35) PTGDR2ALDH1A1L3MBTL1CHRM5KMT2A
SCHEMBL1156912 0.79 L3MBTL1 (0.39) PTGDR2L3MBTL1KMT2ALMNA
SCHEMBL1278071 0.79 PTGER2 (0.40) PTGDR2ALDH1A1KDM4ETAS2R14MAPT
SCHEMBL2408357 0.78 CTSD (0.32) PTGDR2ALDH1A1L3MBTL1
SCHEMBL1157092 0.78 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1PTGDR2IDH2

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.