SCHEMBL5359778

SCHEMBL5359778

COc1ccc2nc(S)[nH]c2c1S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)c(OCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5359769 0.87 PAX8 (0.37) PAX8MAPTPOLBTP53KMT2A
SCHEMBL5370613 0.85 KMT2A (0.40) PAX8MAPTKMT2AALDH1A1GAA
SCHEMBL5370935 0.82 SNCA (0.40) POLBKMT2AALDH1A1HTTTSHR
SCHEMBL5358321 0.81 PAX8 (0.41) PAX8MAPTPOLBKMT2AALDH1A1
SCHEMBL5378090 0.79 PAX8 (0.36) PAX8POLBALDH1A1
SCHEMBL5361897 0.76 KMT2A (0.43) PAX8KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5361986 0.74 CYP2C9 (0.39) PAX8MAPTPOLBTP53KMT2A
SCHEMBL5366970 0.74 CYP2C9 (0.39) PAX8MAPTPOLBTP53KMT2A
SCHEMBL5760942 0.73 KMT2A (0.45) PAX8KMT2AALDH1A1HTTGAA
SCHEMBL5359772 0.72 ALDH1A1 (0.37) PAX8MAPTPOLBTP53KMT2A

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 9 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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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 (4 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 PAX8 3472/4885MAPT 4100/4885POLB 3596/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PAX8 3316/4885MAPT 4649/4885POLB 1255/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI PAX8 3950/4885MAPT 4128/4885POLB 3578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PAX8 3575/4885MAPT 4098/4885POLB 3580/4885

“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.