Sugi Predict

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Lithium Ion

Lithium Ion

SCHEMBL1712866

O=C([O-])C1CCCN(S(=O)(=O)c2ccccc2Cl)C1.[Li+]

nearest known ligand 0.56

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 10)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.55
▸ POLB P06746 2/20 0.55
▸ AKR1C1 Q04828 2/20 0.55
▸ HSD11B1 P28845 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CCR1 P32246 2/20 0.52
▸ FAAH O00519 2/20 0.51
▸ PKLR P30613 1/20 0.49

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
SCHEMBL5243114 0.87 AKR1C3 (0.67) AKR1C3POLBAKR1C1HSD11B1HTT
SCHEMBL5243117 0.87 AKR1C3 (0.67) AKR1C3POLBAKR1C1HSD11B1HTT
SCHEMBL5244741 0.87 AKR1C3 (0.67) AKR1C3POLBAKR1C1HSD11B1HTT
SCHEMBL1712959 0.86 AKR1C3 (0.65) AKR1C3POLBAKR1C1HSD11B1HTT
SCHEMBL5242303 0.82 POLB (0.58) AKR1C3POLBAKR1C1HSD11B1MEN1
SCHEMBL5246776 0.82 POLB (0.75) POLBHSD11B1MEN1HTTKMT2A
SCHEMBL5242301 0.82 POLB (0.58) AKR1C3POLBAKR1C1HSD11B1MEN1
SCHEMBL5243194 0.81 HSD11B1 (0.78) POLBHSD11B1MEN1KMT2A
SCHEMBL5286176 0.81 POLB (0.65) POLBMEN1HTTKMT2A
SCHEMBL4961267 0.81 HSD11B1 (0.80) POLBHSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 — — US disclosed
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES KNUST HENNER (DE) 2012-09-20 — — US disclosed
US-8202888-B2 Piperidine sulphonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 — — EP disclosed
CN-101918361-A Piperidine sulfonamide derivatives HOFFMANN LA ROCHE 2010-12-15 — — CN disclosed
EP-2252587-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-24 — — EP disclosed
WO-2009100994-A1 PIPERIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — WO disclosed
US-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — 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-20090203736-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 AKR1C3 1634/4885POLB 3190/4885AKR1C1 1264/4885
US-20120238602-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 AKR1C3 1634/4885POLB 3190/4885AKR1C1 1264/4885
US-20130217729-A1 PIPERIDINE SULPHONAMIDE DERIVATIVES HCRTR2, PER2, HCRTR1 AKR1C3 1634/4885POLB 3190/4885AKR1C1 1264/4885

“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.