Sugi Predict

Sugi Predict / Compounds / Lithium Ion

Lithium Ion

Lithium Ion

SCHEMBL363471

CON(C)C(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)c1ccccc1C.[Li+]

nearest known ligand 0.44

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
▸ GPBAR1 Q8TDU6 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CTSA P10619 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ UTS2R Q9UKP6 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL1390285 0.91 GPBAR1 (0.53) GPBAR1ALDH1A1HTTMEN1KMT2A
SCHEMBL363503 0.91 GPBAR1 (0.53) GPBAR1ALDH1A1HTTMEN1KMT2A
SCHEMBL1390580 0.90 GPBAR1 (0.52) GPBAR1ALDH1A1HTTMEN1KMT2A
SCHEMBL362062 0.82 GPBAR1 (0.46) GPBAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL362061 0.82 GPBAR1 (0.46) GPBAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL362134 0.82 GPBAR1 (0.46) GPBAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15949106 0.77 KMT2A (0.44) GPBAR1ALDH1A1HTTMEN1KMT2A
SCHEMBL363933 0.75 NPSR1 (0.42) ALDH1A1HTTMEN1KMT2AL3MBTL1
SCHEMBL1390302 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2UTS2R
SCHEMBL362624 0.73 TDP1 (0.56) KMT2AL3MBTL1TDP1LMNATACR1

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885ALDH1A1 132/4885HTT 1564/4885

“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.