SCHEMBL5370913

SCHEMBL5370913

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)c2c(OC)ccc3[nH]c([S+]([O-])Cc4ncc(C)c(OC)c4C)nc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
CYP2C9 P11712 2/20 0.34
LPAR3 Q9UBY5 4/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LPAR1 Q92633 2/20 0.31
WDR5 P61964 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 2/20 0.31
ATP1A1 P05023 2/20 0.31
ATP1B1 P05026 2/20 0.31
ATP1A3 P13637 2/20 0.31
ATP1B2 P14415 2/20 0.31
ATP4A P20648 2/20 0.31
ATP1A2 P50993 2/20 0.31
ATP4B P51164 2/20 0.31
ATP1B3 P54709 2/20 0.31
FXYD2 P54710 2/20 0.31
ATP1A4 Q13733 2/20 0.31
BRS3 P32247 2/20 0.31

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
SCHEMBL5369389 0.93 CYP2C9 (0.34) ENPP2CYP2C9ALDH1A1SMN1; SMN2WDR5
SCHEMBL5370920 0.90 CYP2C9 (0.36) ENPP2CYP2C9LPAR3ALDH1A1SMN1; SMN2
SCHEMBL5368635 0.90 CYP2C9 (0.39) CYP2C9ALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL5358420 0.87 BRS3 (0.44) ENPP2CYP2C9LPAR3ALDH1A1SMN1; SMN2
SCHEMBL5763035 0.86 CYP2C9 (0.39) CYP2C9ALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL5369395 0.83 CYP2C9 (0.35) ENPP2CYP2C9LPAR3ALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL5367188 0.82 CYP2C9 (0.38) CYP2C9ALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL5360436 0.82 CYP2C9 (0.38) CYP2C9ALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL5366915 0.81 CYP2C9 (0.37) CYP2C9ALDH1A1SMN1; SMN2WDR5KMT2A
SCHEMBL5358428 0.81 BRS3 (0.46) ENPP2CYP2C9LPAR3ALDH1A1SMN1; 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 ENPP2 2031/4885CYP2C9 59/4885LPAR3 4712/4885

“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.