SCHEMBL5764045

SCHEMBL5764045

COc1ccc2c(c1)nc(SCc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(C)(C)C(=O)O)cc1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.44
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
CYP2C9 P11712 2/20 0.39
HSD17B10 Q99714 3/20 0.36
WDR5 P61964 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DDAH1 O94760 1/20 0.36
ABCB11 O95342 1/20 0.36
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL14387723 0.99 BRS3 (0.44) BRS3ALDH1A1KMT2AMEN1CYP2C9
Lithium SCHEMBL5764061 0.98 BRS3 (0.44) BRS3ALDH1A1KMT2AMEN1CYP2C9
Lithium Ion SCHEMBL5764052 0.94 BRS3 (0.47) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL5446485 0.92 BRS3 (0.44) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7009207 0.86 BRS3 (0.51) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL13215288 0.86 BRS3 (0.46) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL5367609 0.86 BRS3 (0.46) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL5367198 0.85 KMT2A (0.38) BRS3ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL14356242 0.85 BRS3 (0.45) BRS3ALDH1A1KMT2AMEN1HTT
SCHEMBL5366920 0.84 KMT2A (0.39) BRS3ALDH1A1KMT2AMEN1CYP2C9

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 BRS3 528/4885ALDH1A1 397/4885KMT2A 2483/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI BRS3 556/4885ALDH1A1 405/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI BRS3 541/4885ALDH1A1 494/4885KMT2A 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.