SCHEMBL5362129

SCHEMBL5362129

COc1ccc2nc(S)n(S(=O)(=O)c3ccc(OCC(N)=O)c(OCC(N)=O)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ALDH3A1 P30838 3/20 0.37
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PDE10A Q9Y233 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR6 P50406 1/20 0.35
SNCA P37840 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL5370928 0.92 ALDH1A1 (0.41) CXCL8NOD1ALDH3A1ALDH1A1NPSR1
SCHEMBL5378208 0.90 CXCL8 (0.44) CXCL8NOD1ALDH1A1NPSR1HPGD
SCHEMBL5359147 0.82 CXCL8 (0.44) CXCL8NOD1ALDH1A1NPSR1HPGD
SCHEMBL5366597 0.80 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRMEN1
SCHEMBL14387815 0.79 MTNR1A (0.39) KDM4EMAPTMTNR1AMTNR1B
SCHEMBL14356275 0.79 BRS3 (0.46) ALDH3A1ALDH1A1NPSR1HPGDKDM4E
SCHEMBL7231352 0.77 CYP2C9 (0.40) CXCL8NOD1ALDH3A1ALDH1A1NPSR1
SCHEMBL5358479 0.72 BRS3 (0.44) ALDH3A1ALDH1A1NPSR1HPGDKDM4E
SCHEMBL14387883 0.72 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRMEN1
SCHEMBL7225145 0.72 ATP4A (0.40) ALDH3A1ALDH1A1HPGDKDM4ETSHR

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 4 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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
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 CXCL8 4535/4885NOD1 2294/4885ALDH3A1 448/4885

“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.