SCHEMBL5362013

SCHEMBL5362013

COC(=O)Nc1ccc(S(=O)(=O)n2c(SCc3ncc(C)c(OC)c3C)nc3ccc(OC)cc32)cc1NC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.46
CYP2C9 P11712 2/20 0.41
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KMT2A Q03164 3/20 0.38
WDR5 P61964 2/20 0.38
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP4A P20648 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP4B P51164 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
DDAH1 O94760 1/20 0.38

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
SCHEMBL5361796 0.85 BRS3 (0.48) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL7014064 0.84 BRS3 (0.53) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL5365325 0.83 BRS3 (0.48) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL14356275 0.83 BRS3 (0.46) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL13215288 0.79 BRS3 (0.46) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL5727536 0.78 BRS3 (0.44) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL5367609 0.77 BRS3 (0.46) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL7009207 0.77 BRS3 (0.51) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL5358479 0.77 BRS3 (0.44) BRS3CYP2C9MAPTSMN1; SMN2KMT2A
SCHEMBL5446485 0.76 BRS3 (0.44) BRS3CYP2C9MAPTSMN1; SMN2KMT2A

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 BRS3 186/4885CYP2C9 59/4885MAPT 4649/4885

“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.