SCHEMBL6505216

SCHEMBL6505216

COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1S(=O)(=O)c1c(C)cc(OC(C)C(=O)O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.52
CYP2C9 P11712 4/20 0.40
ATP1A1 P05023 3/20 0.39
ATP1B1 P05026 3/20 0.39
ATP1A3 P13637 3/20 0.39
ATP1B2 P14415 3/20 0.39
ATP4A P20648 3/20 0.39
ATP1A2 P50993 3/20 0.39
ATP4B P51164 3/20 0.39
ATP1B3 P54709 3/20 0.39
FXYD2 P54710 3/20 0.39
ATP1A4 Q13733 3/20 0.39
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
WDR5 P61964 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5363684 0.89 BRS3 (0.54) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL6505209 0.88 BRS3 (0.50) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL6503400 0.85 CYP2C9 (0.39) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL5367233 0.80 BRS3 (0.46) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL5367613 0.79 BRS3 (0.53) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL5358488 0.79 BRS3 (0.51) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL6511372 0.77 TDP1 (0.39) CYP2C9KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL6205809 0.77 CYP2C9 (0.55) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL5446498 0.77 BRS3 (0.51) BRS3CYP2C9ATP1A1ATP1B1ATP1A3
SCHEMBL6503395 0.77 CYP2C9 (0.37) BRS3CYP2C9ATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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 (2 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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI BRS3 556/4885CYP2C9 49/4885ATP1A1 42/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI BRS3 541/4885CYP2C9 83/4885ATP1A1 33/4885

“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.