Bicarbonate

Bicarbonate

SCHEMBL20423895

CC(CF)=C(C)CF.O=C(O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CASP1 P29466 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC15A2 Q16348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
ABAT P80404 1/20 0.31

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
Bicarbonate SCHEMBL20423795 0.87 FFAR3 (0.35) FFAR3LCKFYNCASP1CA1
Bicarbonate SCHEMBL20423520 0.84 FFAR3 (0.33) FFAR3LCKFYNCASP1
Bicarbonate SCHEMBL20423501 0.84 FFAR3 (0.33) FFAR3LCKFYNCASP1
Bicarbonate SCHEMBL20423776 0.78 CASP1 (0.33) CASP1
Bicarbonate SCHEMBL20423563 0.76
Fluoroacetate SCHEMBL27881898 0.74
SCHEMBL13651723 0.72
SCHEMBL16473 0.72
Acetic Acid SCHEMBL11797653 0.72 FFAR3 (0.64) FFAR3LCKFYNCASP1CA1
Fluoroacetate SCHEMBL5080124 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108376799-B Nonaqueous electrolyte solution and method for producing nonaqueous electrolyte secondary battery 丰田自动车株式会社 2021-08-06 CN disclosed
US-11043699-B2 Nonaqueous electrolyte solution and method for producing nonaqueous electrolyte secondary battery TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2021-06-22 US disclosed
US-20180219259-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND METHOD FOR PRODUCING NONAQUEOUS ELECTROLYTE SECONDARY BATTERY TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2018-08-02 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 (2 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-11043699-B2 Nonaqueous electrolyte solution and method for producing nonaqueous electrolyte secondary battery NAF1, CA2, CA1 FFAR3 3077/4885LCK 3570/4885FYN 2540/4885
US-20180219259-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND METHOD FOR PRODUCING NONAQUEOUS ELECTROLYTE SECONDARY BATTERY NAF1, CA2, CA1 FFAR3 3077/4885LCK 3570/4885FYN 2540/4885

“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.