Bicarbonate

Bicarbonate

SCHEMBL3798404

COCC(O)COC1CC(C)(C)N(OC)C(C)(C)C1.O=C(O)O

nearest known ligand 0.34

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 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17350835 0.94 MEN1 (0.32) KMT2AMEN1
Bicarbonate SCHEMBL3798743 0.93 KMT2A (0.33) KMT2AMEN1TSHR
Glycolic Acid SCHEMBL3797479 0.93 KMT2A (0.33) KMT2AMEN1TSHR
SCHEMBL987393 0.86 TSHR (0.45) KMT2AMEN1TSHRALDH1A1ESR1
Acetic Acid SCHEMBL987391 0.83 KMT2A (0.34) KMT2AMEN1TSHR
Acetic Acid SCHEMBL986805 0.83 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL10299821 0.80 MEN1 (0.33) KMT2AMEN1
SCHEMBL987956 0.80 MEN1 (0.33) KMT2AMEN1
SCHEMBL3799801 0.80 TSHR (0.32) KMT2ATSHR
SCHEMBL3797483 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781246-B1 STABILIZED BODY CARE AND HOUSEHOLD PRODUCTS BASF SE (DE) 2015-12-23 EP claimed
US-20080250572-A1 Stabilized body care products, household products, textiles and fabrics LUPIA JOSEPH A 2008-10-16 US claimed
US-20080221332-A1 Hindered Amine salt compounds WOOD MARVIN G 2008-09-11 US claimed
US-7410936-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-08-12 US claimed
EP-1781246-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS Ciba SC Holding AG (CH) 2007-05-09 EP claimed
WO-2006021526-A1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-02 WO claimed
US-20060040836-A1 Stabilized body care products, household products, textiles and fabrics CIBA CORPORATION 2006-02-23 US claimed
US-20050234151-A1 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORP. 2005-10-20 US claimed
WO-2005092992-A1 INK JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-06 WO claimed
EP-2207522-B1 PERSONAL CARE AND HOUSEHOLD PRODUCT COMPOSITIONS COMPRISING SPECIFIC SULFUR CONTAINING STABILISER COMPOUNDS BASF SE (DE) 2019-11-06 EP disclosed
EP-1781246-B1 STABILIZED BODY CARE AND HOUSEHOLD PRODUCTS BASF SE (DE) 2015-12-23 EP disclosed
EP-2207522-A2 BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS BASF SE (DE) 2010-07-21 EP disclosed
US-7632795-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-12-15 US disclosed
US-7615503-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-10 US disclosed
US-20080255251-A1 Stabilized body care products, household products, textiles and fabrics LUPIA JOSEPH A 2008-10-16 US disclosed
US-20080221332-A1 Hindered Amine salt compounds WOOD MARVIN G 2008-09-11 US disclosed
US-7410936-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-08-12 US disclosed
US-7384464-B2 Ink jet and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-10 US disclosed
US-20060040836-A1 Stabilized body care products, household products, textiles and fabrics CIBA CORPORATION 2006-02-23 US disclosed
US-20050234151-A1 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORP. 2005-10-20 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-20060040836-A1 Stabilized body care products, household products, textiles and fabrics DSC1, CUTA, DSG1 KMT2A 1031/4885MEN1 1581/4885TSHR 1283/4885
US-20080255251-A1 Stabilized body care products, household products, textiles and fabrics DSC1, CUTA, DSG1 KMT2A 1031/4885MEN1 1581/4885TSHR 1283/4885
US-20080221332-A1 Hindered Amine salt compounds SLC7A1, H1-0, SLC3A2 KMT2A 1462/4885MEN1 507/4885TSHR 2669/4885

“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.