SCHEMBL5366557

SCHEMBL5366557

COc1ccc(NS(=O)(=O)c2cc(C(=O)OCCS(=O)(=O)c3ccc(C)cc3)ccc2OC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 2/20 0.47
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL5366708 0.87 LMNA (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5378016 0.80 MAPT (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5359176 0.78 MEN1 (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5765462 0.77 PAX8 (0.43) MAPTKMT2ALMNAALDH1A1GAA
SCHEMBL5366521 0.76 PAX8 (0.54) MAPTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL5378271 0.76 MAPT (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6831954 0.75 MAPT (0.71) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5762315 0.74 PAX8 (0.45) MAPTKMT2ALMNATDP1ALDH1A1
SCHEMBL5358306 0.73 PAX8 (0.42) MAPTMEN1KMT2ALMNATDP1
SCHEMBL5358313 0.71 PAX8 (0.40) MAPTSMN1; SMN2ALDH1A1GAAPOLB

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 8 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-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US 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
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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 (3 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4100/4885MEN1 1514/4885KMT2A 2483/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPT 4649/4885MEN1 2438/4885KMT2A 1672/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885MEN1 1915/4885KMT2A 2545/4885

“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.