SCHEMBL5763572

SCHEMBL5763572

COc1ccc(S(=O)(=O)Cl)cc1CCC(=O)OCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
ALDH1A1 P00352 7/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL5760505 0.84 ALDH1A1 (0.54) PAX8ALDH1A1GAALMNAPOLB
SCHEMBL5761961 0.81 GAA (0.56) PAX8ALDH1A1GAAPOLBKMT2A
SCHEMBL5368616 0.81 ALDH1A1 (0.56) ALDH1A1GAALMNAKMT2A
SCHEMBL5361897 0.78 KMT2A (0.43) PAX8ALDH1A1GAALMNAKMT2A
SCHEMBL14578750 0.77 LMNA (0.61) PAX8ALDH1A1GAALMNAKMT2A
SCHEMBL5760942 0.75 KMT2A (0.45) PAX8ALDH1A1GAALMNAKMT2A
SCHEMBL5760908 0.74 GAA (0.43) PAX8ALDH1A1GAALMNAKMT2A
SCHEMBL5366521 0.74 PAX8 (0.54) PAX8ALDH1A1GAALMNAPOLB
SCHEMBL3391356 0.71 GAA (0.52) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL14874390 0.71 CYP4F2 (0.51) ALDH1A1GAAKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP 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
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 US disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO 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 PAX8 3472/4885ALDH1A1 397/4885GAA 83/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI PAX8 3950/4885ALDH1A1 405/4885GAA 69/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PAX8 3575/4885ALDH1A1 494/4885GAA 80/4885

“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.