SCHEMBL5370628

SCHEMBL5370628

COC(=O)COc1ccc(S(=O)(=O)c2cc(OC)cc3[nH]c([S+]([O-])Cc4ncc(C)c(OC)c4C)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
KMT2A Q03164 4/20 0.39
WDR5 P61964 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
BRS3 P32247 2/20 0.39
ATP1A1 P05023 2/20 0.39
ATP1B1 P05026 2/20 0.39
ATP1A3 P13637 2/20 0.39
ATP1B2 P14415 2/20 0.39
ATP4A P20648 2/20 0.39
ATP1A2 P50993 2/20 0.39
ATP4B P51164 2/20 0.39
ATP1B3 P54709 2/20 0.39
FXYD2 P54710 2/20 0.39
ATP1A4 Q13733 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DDAH1 O94760 1/20 0.39

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
SCHEMBL5365838 0.93 CYP2C9 (0.42) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5367357 0.93 CYP2C9 (0.42) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5370636 0.88 CYP2C9 (0.40) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5368635 0.87 CYP2C9 (0.39) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5361792 0.84 BRS3 (0.56) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5368644 0.81 CYP2C9 (0.41) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5365856 0.81 CYP2C9 (0.41) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5367375 0.81 CYP2C9 (0.41) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL5763035 0.80 CYP2C9 (0.39) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2
SCHEMBL6478116 0.78 CYP2C9 (0.60) CYP2C9KMT2AWDR5ALDH1A1SMN1; SMN2

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 59/4885KMT2A 1672/4885WDR5 4720/4885

“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.