SCHEMBL5378077

SCHEMBL5378077

COc1ccc2[nH]c(S)nc2c1S(=O)(=O)c1c(C)cc(OCC(C)(C)C(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5378090 0.88 PAX8 (0.36) PAX8ALDH1A1POLB
SCHEMBL5368298 0.83 CYP2C9 (0.34) PAX8ALDH1A1
SCHEMBL5358308 0.79 PAX8 (0.41) PAX8ALDH1A1POLB
SCHEMBL5359769 0.79 PAX8 (0.37) PAX8ALDH1A1POLB
SCHEMBL5370447 0.78 DGAT1 (0.37) ALDH1A1
SCHEMBL5377792 0.76 PPARD (0.39) POLB
SCHEMBL5370608 0.76 KMT2A (0.40) PAX8ALDH1A1
SCHEMBL5368304 0.76 CYP2C9 (0.36) PAX8ALDH1A1
SCHEMBL5378083 0.73 RORC (0.35) PAX8ALDH1A1POLB
SCHEMBL5378086 0.72 ALDH1A1 (0.35) PAX8ALDH1A1POLB

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
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
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
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 3472/4885ALDH1A1 397/4885POLB 3596/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PAX8 3316/4885ALDH1A1 1650/4885POLB 1255/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI PAX8 3950/4885ALDH1A1 405/4885POLB 3578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PAX8 3575/4885ALDH1A1 494/4885POLB 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.