Lithium Ion

Lithium Ion

SCHEMBL5764052

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.47
CYP2C9 P11712 3/20 0.42
ALDH1A1 P00352 10/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
WDR5 P61964 2/20 0.38
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP4A P20648 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP4B P51164 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38

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 0.95 BRS3 (0.44) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL5446485 0.94 BRS3 (0.44) BRS3CYP2C9ALDH1A1KMT2AMEN1
Lithium SCHEMBL5764061 0.94 BRS3 (0.44) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL5764045 0.94 BRS3 (0.44) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL13215288 0.87 BRS3 (0.46) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL5367609 0.87 BRS3 (0.46) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL7009207 0.86 BRS3 (0.51) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL5763533 0.84 CYP2C9 (0.40) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL14356254 0.84 BRS3 (0.47) BRS3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL5358479 0.82 BRS3 (0.44) BRS3CYP2C9ALDH1A1KMT2AMEN1

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 528/4885CYP2C9 92/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI BRS3 556/4885CYP2C9 49/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI BRS3 541/4885CYP2C9 83/4885ALDH1A1 494/4885

“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.