Lithium Ion

Lithium Ion

SCHEMBL6262820

CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(F)c(F)c1F.[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
▸ MCL1 Q07820 1/20 0.39
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNJ6 P48051 3/20 0.34
▸ KCNJ5 P48544 3/20 0.34
▸ KCNJ3 P48549 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL6265467 0.83 MCL1 (0.51) MCL1ALDH1A1CYP2C19KCNJ6KCNJ5
SCHEMBL6262823 0.82 MCL1 (0.50) MCL1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL6262809 0.79 L3MBTL1 (0.40) MCL1ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL22909297 0.73 HDAC6 (0.42) ALDH1A1HDAC6HDAC8HDAC2PDE2A
SCHEMBL29671203 0.73 HDAC6 (0.42) ALDH1A1HDAC6HDAC8HDAC2PDE2A
Lithium Ion SCHEMBL6265188 0.73 TAS2R14 (0.52) HDAC6HDAC8
Lithium Ion SCHEMBL28575314 0.69 CA1 (0.52) ALDH1A1SMN1; SMN2CA1CA2CA4
SCHEMBL15094272 0.68 KCNJ6 (0.36) MCL1ALDH1A1CYP2C19KCNJ6KCNJ5
Potassium Ion SCHEMBL10455361 0.65 CA1 (0.52) ALDH1A1SMN1; SMN2CA1CA2CA4
SCHEMBL9689516 0.65 CA1 (0.56) ALDH1A1SMN1; SMN2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144371-B1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-11-09 — — EP disclosed
US-6750217-B2 ANTICANCER AGENTS; CARDIOVASCULAR DISORDERS; KINASE INHIBITOR WARNER-LAMBERT COMPANY 2004-06-15 — — US disclosed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 — — EP disclosed
US-20030092748-A1 Benzenesulfonamide derivatives and their use as MEK inhibitors BARRETT STEPHEN DOUGLAS (US) 2003-05-15 — — US disclosed
US-6440966-B1 Benzenesulfonamide derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY 2002-08-27 — — US disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 — — EP disclosed
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 — — WO disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — 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 (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-20030092748-A1 Benzenesulfonamide derivatives and their use as MEK inhibitors NR2E1, NR0B1, NR0B2 MCL1 335/4885ABCC9 1444/4885ABCC8 1015/4885

“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.

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