Bicarbonate

Bicarbonate

SCHEMBL2334734

CC#N.N.N.O.O=C(O)O

nearest known ligand 0.42

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 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
MCL1 Q07820 1/20 0.30

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 SCHEMBL4592112 1.00
Bicarbonate SCHEMBL21598431 1.00
Bicarbonate SCHEMBL2122167 1.00
Bicarbonate SCHEMBL29280952 0.96 CA1 (0.39) CA1CA2CA9FFAR3LCK
Bicarbonate SCHEMBL27806680 0.96 CA1 (0.39) CA1CA2CA9FFAR3LCK
Bicarbonate SCHEMBL2782263 0.96
Bicarbonate SCHEMBL27963055 0.96 CA1 (0.46) CA1CA2CA9FFAR3LCK
Bicarbonate SCHEMBL7096240 0.92 CA1 (0.42) CA1CA2CA9FFAR3LCK
Bicarbonate SCHEMBL4654017 0.92
Bicarbonate SCHEMBL4322728 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101170915-B Acyl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives DSM IP ASSETS BV 2012-05-23 CN disclosed
US-8003686-B2 Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives DSM IP ASSETS B.V. (NL) 2011-08-23 US disclosed
US-20100010232-A1 Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives DSM IP ASSETS B.V. (NL) 2010-01-14 US disclosed
CN-101170915-A Acyl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives DSM IP ASSETS BV (NL) 2008-04-30 CN 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-20100010232-A1 Aryl derivatives of curcumin, demethoxycurcumin, bisdemethoxycurcumin or curcuminisoxazolide and their use as animal feed additives AADAC, ARNT, PIGS CA1 3177/4885CA2 2830/4885CA9 3059/4885

“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.