SCHEMBL5370610

SCHEMBL5370610

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(CCC(=O)O)cc1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 5/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.35
WDR5 P61964 2/20 0.35
BRS3 P32247 2/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DDAH1 O94760 1/20 0.35
ABCB11 O95342 1/20 0.35
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL14356342 0.99 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
Agn-201904 SCHEMBL5764638 0.90 CYP2C9 (0.40) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL14356265 0.90 CYP2C9 (0.41) CYP2C9KMT2AMEN1ALDH1A1WDR5
SCHEMBL5763408 0.90 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
Agn-201904 SCHEMBL2245875 0.89 CYP2C9 (0.41) PPARGPPARAPPARDCYP2C9KMT2A
Agn-201904 SCHEMBL5764653 0.89 CYP2C9 (0.41) PPARGPPARAPPARDCYP2C9KMT2A
Agn-201904 SCHEMBL5330690 0.89 CYP2C9 (0.41) PPARGPPARAPPARDCYP2C9KMT2A
Agn-201904 SCHEMBL29596867 0.89 CYP2C9 (0.41) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5763428 0.89 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL7009476 0.89 CYP2C9 (0.45) CYP2C9KMT2AMEN1ALDH1A1WDR5

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 PPARG 2112/4885PPARA 3025/4885PPARD 2263/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PPARG 586/4885PPARA 1410/4885PPARD 651/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI PPARG 2376/4885PPARA 3237/4885PPARD 2613/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PPARG 1908/4885PPARA 2749/4885PPARD 2014/4885

“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.