SCHEMBL5359271

SCHEMBL5359271

COc1ccc(N)c(NS(=O)(=O)c2ccc(OC(OCC(N)=O)C(N)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
KEAP1 Q14145 2/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 4/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HDAC3 O15379 4/20 0.43
NCOR2 Q9Y618 4/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
JAK2 O60674 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 2/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL5359164 0.86 MAPK1 (0.45) MAPK1LMNATSHRHTTKMT2A
SCHEMBL5368049 0.84 MAPK1 (0.63) MAPK1KEAP1LMNATSHRHTT
SCHEMBL5359253 0.78 MAPK1 (0.55) MAPK1KEAP1LMNATSHRHTT
SCHEMBL5358675 0.77 MAPK1 (0.77) MAPK1KEAP1LMNATSHRHTT
SCHEMBL5368085 0.75 MAPK1 (0.60) MAPK1KEAP1LMNATSHRHTT
SCHEMBL5359701 0.73 ALDH1A1 (0.43) TSHRHTTKMT2AALDH1A1MEN1
SCHEMBL5365096 0.72 ALDH1A1 (0.36) MAPK1LMNAKMT2ANPSR1SMN1; SMN2
SCHEMBL5362132 0.71 MMP1 (0.31) KEAP1NFE2L2
SCHEMBL5361866 0.69 MAPK1 (0.58) MAPK1LMNATSHRHTTKMT2A
SCHEMBL5370589 0.69 MAPK1 (0.53) MAPK1KEAP1LMNATSHRHTT

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
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO 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 1186/4885KEAP1 2065/4885LMNA 1693/4885

“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.