Bicarbonate

Bicarbonate

SCHEMBL544722

CCC(O)C(C)O.O=C(O)O

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
TRPA1 O75762 1/20 0.37
FFAR3 O14843 1/20 0.35
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Acetic Acid SCHEMBL7539465 0.92 TSHR (0.40) TSHRTP53TRPA1FFAR3TDP1
SCHEMBL13573726 0.87
SCHEMBL14160685 0.87
SCHEMBL10455447 0.87
SCHEMBL2985939 0.87
SCHEMBL37839 0.87
SCHEMBL13222685 0.87
SCHEMBL7891456 0.87
SCHEMBL2985943 0.87
SCHEMBL6517706 0.87

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717537-B1 REACTION SYSTEM FOR A 1K-POLYURETHANE FOAM COVESTRO DEUTSCHLAND AG (DE) 2023-04-19 EP disclosed
CN-109790276-B Process for preparing elastomers 科思创德国股份有限公司 2022-06-10 CN disclosed
US-11312812-B2 Process for producing elastomers COVESTRO DEUTSCHLAND AG (DE) 2022-04-26 US disclosed
CN-109790275-B Process for preparing multiple bond-containing prepolymers as elastomer precursors 科思创德国股份有限公司 2022-03-15 CN disclosed
CN-113966360-A Compositions comprising silylated polymers 亨茨曼国际有限公司 2022-01-21 CN disclosed
US-11091589-B1 Method for producing a polymer which contains double bonds as an elastomer precursor COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-08-17 US disclosed
US-20210230361-A1 METHOD FOR PRODUCING A POLYMER WHICH CONTAINS DOUBLE BONDS AS AN ELASTOMER PRECURSOR COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-07-29 US disclosed
CN-113166389-A Process for preparing polymers containing double bonds as precursors of elastomers 科思创知识产权两合公司 2021-07-23 CN disclosed
EP-3833706-A1 METHOD FOR PRODUCING A POLYMER WHICH CONTAINS DOUBLE BONDS AS AN ELASTOMER PRECURSOR Covestro Intellectual Property GmbH & Co. KG (DE) 2021-06-16 EP disclosed
US-20210147623-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALIZED POLYOXYALKYLENE POLYOLS COVESTRO DEUTSCHLAND AG (DE) 2021-05-20 US disclosed
US-8110698-B2 Process for producing diphenyl carbonate SHELL OIL COMPANY (US) 2012-02-07 US disclosed
US-20110098499-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-04-28 US disclosed
US-20110046409-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-24 US disclosed
US-20110045965-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-24 US disclosed
WO-2011014374-A2 PROCESS FOR PRODUCING DIPHENYL CARBONATE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-03 WO disclosed
US-7851645-B2 Process for continuous production of organic carbonates or organic carbamates and solid catalysts therefore CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-12-14 US disclosed
EP-2257520-A2 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE Catalytic Distillation Technologies (US) 2010-12-08 EP disclosed
US-20100197952-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-08-05 US disclosed
WO-2009102556-A2 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2009-08-20 WO disclosed
US-20090203933-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 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 (4 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-20100197952-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE CA3, DAGLA, CA2 TSHR 4878/4885TP53 2931/4885TRPA1 319/4885
US-20110046409-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885TP53 4292/4885TRPA1 3912/4885
US-20090203933-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885TP53 4292/4885TRPA1 3912/4885
US-20110098499-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885TP53 4292/4885TRPA1 3912/4885

“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.