Sugi Predict

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SCHEMBL5358428

SCHEMBL5358428

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)c2c(OC)ccc3nc(SCc4ncc(C)c(OC)c4C)[nH]c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 2/20 0.46
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ATP1A1 P05023 2/20 0.33
▸ ATP1B1 P05026 2/20 0.33
▸ ATP1A3 P13637 2/20 0.33
▸ ATP1B2 P14415 2/20 0.33
▸ ATP4A P20648 2/20 0.33
▸ ATP1A2 P50993 2/20 0.33
▸ ATP4B P51164 2/20 0.33
▸ ATP1B3 P54709 2/20 0.33
▸ FXYD2 P54710 2/20 0.33
▸ ATP1A4 Q13733 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PKM P14618 2/20 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
SCHEMBL5367233 0.92 BRS3 (0.46) BRS3MAPK1CYP2C9ENPP2HTT
SCHEMBL5358420 0.90 BRS3 (0.44) BRS3MAPK1CYP2C9ENPP2HTT
SCHEMBL5370920 0.88 CYP2C9 (0.36) BRS3CYP2C9ENPP2HTTALDH1A1
SCHEMBL5367613 0.85 BRS3 (0.53) BRS3CYP2C9HTTALDH1A1WDR5
SCHEMBL5367213 0.82 BRS3 (0.44) BRS3MAPK1CYP2C9ENPP2HTT
SCHEMBL5446498 0.81 BRS3 (0.51) BRS3CYP2C9HTTALDH1A1WDR5
SCHEMBL5369395 0.81 CYP2C9 (0.35) BRS3MAPK1CYP2C9ENPP2HTT
SCHEMBL5370913 0.81 ENPP2 (0.34) BRS3CYP2C9ENPP2HTTALDH1A1
SCHEMBL5370660 0.81 ALDH1A1 (0.37) MAPK1ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL5358488 0.78 BRS3 (0.51) BRS3CYP2C9HTTALDH1A1WDR5

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 186/4885MAPK1 1186/4885CYP2C9 59/4885

“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.