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SCHEMBL5760955

SCHEMBL5760955

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1cccc(C(=O)OCCS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ BRS3 P32247 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ DDAH1 O94760 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ATP1A1 P05023 1/20 0.32
▸ ATP1B1 P05026 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
SCHEMBL5761903 0.95 CYP2C9 (0.38) CYP2C9L3MBTL1KMT2AMEN1PPARG
SCHEMBL6488127 0.92 ALDH1A1 (0.33) L3MBTL1PPARGPPARDPPARAMAPT
SCHEMBL5761974 0.92 CYP2C9 (0.36) CYP2C9KMT2AMEN1BRS3MAPT
SCHEMBL5362269 0.90 CYP2C9 (0.35) CYP2C9KMT2AMEN1BRS3MAPT
SCHEMBL5762114 0.90 CYP2C9 (0.37) CYP2C9KMT2AMEN1BRS3MAPT
SCHEMBL6510432 0.90 CYP2C9 (0.35) CYP2C9KMT2AMEN1BRS3MAPT
SCHEMBL5761891 0.88 CYP2C9 (0.39) CYP2C9KMT2AMEN1PPARGPPARD
SCHEMBL5762706 0.88 CYP2C9 (0.39) CYP2C9KMT2AMEN1PPARGPPARD
SCHEMBL5762716 0.88 CYP2C9 (0.39) CYP2C9KMT2AMEN1PPARGPPARD
SCHEMBL5760319 0.87 CYP2C9 (0.38) CYP2C9KMT2AMEN1BRS3MAPT

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 5 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
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

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 CYP2C9 92/4885L3MBTL1 3178/4885KMT2A 2483/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885L3MBTL1 4035/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885L3MBTL1 3350/4885KMT2A 2545/4885

“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.