SCHEMBL5370447

SCHEMBL5370447

COC(=O)C(C)(C)COc1ccc(S(=O)(=O)c2c(OC)ccc3[nH]c(S)nc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.37
NR1I2 O75469 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.32
FFAR2 O15552 1/20 0.32
NAMPT P43490 1/20 0.31
ELANE P08246 1/20 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
SCHEMBL5370454 0.85 DGAT1 (0.37) DGAT1NR1I2ALDH1A1MEN1MAPT
SCHEMBL5359143 0.83 ACACA (0.38) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL5446484 0.78 BRS3 (0.49) DGAT1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5370650 0.76 ALDH1A1 (0.37) ALDH1A1KMT2AMAPK1
SCHEMBL5370926 0.74 SNCA (0.40) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL5377792 0.70 PPARD (0.39) GAA
Lithium Ion SCHEMBL5367188 0.70 CYP2C9 (0.38) DGAT1ALDH1A1KDM4EMEN1MAPT
SCHEMBL5360436 0.70 CYP2C9 (0.38) DGAT1ALDH1A1KDM4EMEN1MAPT
SCHEMBL5364279 0.70 DGAT1 (0.45) DGAT1ALDH1A1ELANE
SCHEMBL5366915 0.70 CYP2C9 (0.37) DGAT1ALDH1A1KDM4EMAPTKMT2A

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 DGAT1 4563/4885NR1I2 271/4885ALDH1A1 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.