SCHEMBL5370915

SCHEMBL5370915

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc3cc(OC)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 9/20 0.35
CYP2C9 P11712 1/20 0.35
ENPP2 Q13822 2/20 0.35
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL5369392 0.94 CYP2C9 (0.35) BRD4CYP2C9ENPP2BRD2BRD3
SCHEMBL14495756 0.89 CYP2C9 (0.40) ALDH1A1CYP2C9MEN1KMT2AGAA
SCHEMBL5368641 0.89 CYP2C9 (0.40) ALDH1A1CYP2C9MEN1KMT2AGAA
SCHEMBL7007139 0.87 HPGDS (0.38) ALDH1A1POLBCYP2C9MEN1KMT2A
SCHEMBL5358423 0.87 BRS3 (0.40) ALDH1A1POLBBRD4CYP2C9ENPP2
SCHEMBL12353538 0.85 CYP2C9 (0.41) ALDH1A1CYP2C9MEN1KMT2A
Agn-201904 SCHEMBL5764653 0.85 CYP2C9 (0.41) ALDH1A1POLBCYP2C9MEN1KMT2A
Agn-201904 SCHEMBL5330690 0.85 CYP2C9 (0.41) ALDH1A1POLBCYP2C9MEN1KMT2A
Agn-201904 SCHEMBL2510925 0.85 CYP2C9 (0.41) ALDH1A1CYP2C9MEN1KMT2A
Agn-201904 SCHEMBL2245875 0.85 CYP2C9 (0.41) ALDH1A1POLBCYP2C9MEN1KMT2A

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 3 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-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 ALDH1A1 1650/4885POLB 1255/4885BRD4 1222/4885

“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.