Sugi Predict

Sugi Predict / Compounds / SCHEMBL5370920

SCHEMBL5370920

SCHEMBL5370920

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)c2c(OC)ccc3nc([S+]([O-])Cc4ncc(C)c(OC)c4C)[nH]c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.36
▸ ENPP2 Q13822 2/20 0.34
▸ 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
▸ BRS3 P32247 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
▸ PKM P14618 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DDAH1 O94760 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
SCHEMBL5369395 0.93 CYP2C9 (0.35) CYP2C9ENPP2ALDH1A1WDR5KMT2A
SCHEMBL5370913 0.90 ENPP2 (0.34) CYP2C9ENPP2ALDH1A1WDR5KMT2A
SCHEMBL5368644 0.90 CYP2C9 (0.41) CYP2C9ALDH1A1WDR5KMT2AATP1A1
SCHEMBL5358428 0.88 BRS3 (0.46) CYP2C9ENPP2ALDH1A1WDR5KMT2A
SCHEMBL5763051 0.86 CYP2C9 (0.41) CYP2C9ALDH1A1WDR5KMT2AATP1A1
SCHEMBL5369389 0.83 CYP2C9 (0.34) CYP2C9ENPP2ALDH1A1WDR5KMT2A
SCHEMBL5370660 0.81 ALDH1A1 (0.37) ALDH1A1KMT2APKMSMN1; SMN2CYP1A2
SCHEMBL5366930 0.81 CYP2C9 (0.39) CYP2C9ALDH1A1WDR5KMT2AATP1A1
SCHEMBL5360447 0.81 CYP2C9 (0.39) CYP2C9ALDH1A1WDR5KMT2AATP1A1
Lithium SCHEMBL5367212 0.80 CYP2C9 (0.39) CYP2C9ALDH1A1WDR5KMT2AATP1A1

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 CYP2C9 59/4885ENPP2 2031/4885ALDH1A1 1650/4885

“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.