SCHEMBL5366593

SCHEMBL5366593

COC(=O)COc1ccc(S(=O)(=O)C2(S)N=c3ccc(OC)cc3=N2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAPGEF3 O95398 1/20 0.39
MAPT P10636 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
SCHEMBL5359135 0.89 MAPK1 (0.39) MAPK1ALDH1A1LMNAPOLBKDM4E
SCHEMBL5370647 0.85 ALDH1A1 (0.42) MAPK1ALDH1A1SMN1; SMN2POLBGAA
SCHEMBL5370445 0.83 DYRK1A (0.37) MAPK1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5362121 0.79 LMNA (0.37) MAPK1ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL5377787 0.77 POLB (0.45) ALDH1A1LMNAPOLBTSHRGAA
SCHEMBL5370623 0.74 MAPK1 (0.39) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5366652 0.74 HPGD (0.38) ALDH1A1TSHRGAA
SCHEMBL4504044 0.71 ALDH1A1 (0.62) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15426821 0.70 GAA (0.71) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12061812 0.70 GAA (0.66) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; 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 MAPK1 1186/4885ALDH1A1 1650/4885CYP2C9 59/4885

“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.