Lithium Ion

Lithium Ion

SCHEMBL1765532

CCOC(=O)C(=O)/C=C(/[O-])c1ccc(F)c(C(F)(F)F)c1.[Li+]

nearest known ligand 0.39

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
KCNN4 O15554 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
EPHX2 P34913 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
VNN1 O95497 5/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
Lithium Ion SCHEMBL1765534 1.00 KCNN4 (0.39) KCNN4TAS1R3TAS1R1TAS1R2EPHX2
Lithium Ion SCHEMBL16876853 0.91 KIF11 (0.41) EPHX2NPSR1PPARDPPARAKCNQ3
Lithium Ion SCHEMBL16876855 0.91 KIF11 (0.41) EPHX2NPSR1PPARDPPARAKCNQ3
Lithium Ion SCHEMBL1765076 0.86 ALDH1A1 (0.41) NPSR1KCNQ3KCNQ2MEN1LMNA
Lithium Ion SCHEMBL1765077 0.86 ALDH1A1 (0.41) NPSR1KCNQ3KCNQ2MEN1LMNA
SCHEMBL12596947 0.85 KDM4E (0.42) KCNN4TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL1765536 0.84 KDM4E (0.41) KCNN4TAS1R3TAS1R1TAS1R2EPHX2
Lithium Ion SCHEMBL1764888 0.83 KDM4E (0.38) NPSR1MEN1LMNACYP1A2MAPT
Lithium Ion SCHEMBL1764887 0.83 KDM4E (0.38) NPSR1MEN1LMNACYP1A2MAPT
Lithium Ion SCHEMBL1765035 0.83 EGFR (0.38) TAS1R3TAS1R1TAS1R2NPSR1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 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 (1 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO KCNN4 4714/4885TAS1R3 4528/4885TAS1R1 4376/4885

“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.