SCHEMBL5763408

SCHEMBL5763408

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OC)c(CCC(=O)O)c1.[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 4/20 0.39
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
WDR5 P61964 2/20 0.34
BRS3 P32247 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
ALDH3A1 P30838 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DDAH1 O94760 1/20 0.34
ABCB11 O95342 1/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5763428 0.99 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5759978 0.94 CYP2C9 (0.38) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5763416 0.94 CYP2C9 (0.37) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5760002 0.94 CYP2C9 (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5370610 0.90 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL14356342 0.89 PPARG (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5763949 0.88 CYP2C9 (0.39) CYP2C9KMT2AMEN1POLBWDR5
SCHEMBL5759981 0.88 CYP2C9 (0.39) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5763445 0.88 CYP2C9 (0.38) PPARGPPARAPPARDCYP2C9KMT2A
SCHEMBL5763970 0.88 CYP2C9 (0.39) CYP2C9KMT2AMEN1POLBWDR5

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 PPARG 2112/4885PPARA 3025/4885PPARD 2263/4885
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.