SCHEMBL5367218

SCHEMBL5367218

COC(=O)CCCCCNC(=O)COc1cc(C)c(S(=O)(=O)n2c(SCc3ncc(C)c(OC)c3C)nc3cc(OC)ccc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.39
CYP2C9 P11712 1/20 0.37
BRD4 O60885 11/20 0.35
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
ENPP2 Q13822 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL5358423 0.94 BRS3 (0.40) BRS3CYP2C9BRD4BRD2BRD3
SCHEMBL14356227 0.89 BRS3 (0.45) BRS3CYP2C9MEN1KMT2AHPGD
SCHEMBL5369392 0.87 CYP2C9 (0.35) BRS3CYP2C9BRD4BRD2BRD3
SCHEMBL5366660 0.83 BRD4 (0.40) BRD4BRD2BRD3BRDTDYRK1A
SCHEMBL13215288 0.82 BRS3 (0.46) BRS3CYP2C9MEN1KMT2AHPGD
SCHEMBL5370915 0.81 ALDH1A1 (0.35) CYP2C9BRD4BRD2BRD3BRDT
SCHEMBL5367609 0.78 BRS3 (0.46) BRS3CYP2C9MEN1KMT2AHPGD
SCHEMBL5367233 0.77 BRS3 (0.46) BRS3CYP2C9ENPP2KMT2AHPGD
SCHEMBL7009207 0.76 BRS3 (0.51) BRS3CYP2C9MEN1KMT2AHPGD
SCHEMBL5361796 0.76 BRS3 (0.48) BRS3CYP2C9MEN1KMT2AHPGD

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 59/4885BRD4 1222/4885

“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.