Bicarbonate

Bicarbonate

SCHEMBL1689393

CCCCCC(C)(C)N.O=C(O)O

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.48
SMPD1 P17405 4/20 0.47
AKR1B1 P15121 1/20 0.42
CES2 O00748 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
TLR2 O60603 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
FABP4 P15090 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN1 P18031 1/20 0.41

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 SCHEMBL27083092 0.98 SMPD1 (0.50) FDPSSMPD1CES2PPARGPPARD
Acetic Acid SCHEMBL3140123 0.93 FDPS (0.47) FDPSSMPD1AKR1B1CES2PPARG
Acetic Acid SCHEMBL11691620 0.91 SMPD1 (0.48) FDPSSMPD1CES2PPARGPPARD
Acetic Acid SCHEMBL3139399 0.91 SMPD1 (0.48) FDPSSMPD1CES2PPARGPPARD
Acetic Acid SCHEMBL4367052 0.91 SMPD1 (0.48) FDPSSMPD1CES2PPARGPPARD
Acetic Acid SCHEMBL9224621 0.91 SMPD1 (0.48) FDPSSMPD1CES2PPARGPPARD
Pivalate SCHEMBL3414635 0.89 SMPD1 (0.47) FDPSSMPD1CES2PPARGPPARD
Glycolic Acid SCHEMBL23466939 0.87 SMPD1 (0.46) FDPSSMPD1PPARGPPARDPPARA
Propionic Acid SCHEMBL4938562 0.87 SMPD1 (0.46) FDPSSMPD1PPARGPPARDPPARA
Valeric Acid SCHEMBL3410666 0.87 AKR1B1 (0.58) AKR1B1PPARGPPARDPPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866754-B2 Trinucleotide mRNA cap analogs MODERNATX, INC. (US) 2024-01-09 US disclosed
EP-4086269-A1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE ModernaTX, Inc. (US) 2022-11-09 EP disclosed
EP-3362461-B1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX INC (US) 2022-03-16 EP disclosed
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. 2019-07-25 US disclosed
US-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. 2019-07-11 US disclosed
EP-3362460-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING Modernatx, Inc. (US) 2018-08-22 EP disclosed
WO-2017066789-A1 MRNA CAP ANALOGS WITH MODIFIED SUGAR MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066797-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 WO disclosed
WO-2017066791-A1 SUGAR SUBSTITUTED MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 WO disclosed
EP-2596005-A2 ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2013-05-29 EP disclosed
US-20120010164-A1 ANTIVIRAL AGENTS SURNMA VINCENZO (IT) 2012-01-12 US disclosed
US-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES MERCK SHARP & DOHME CORP. 2011-12-15 US disclosed
EP-2324043-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-25 EP disclosed
WO-2010084115-A2 ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-29 WO disclosed
WO-2010026153-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-11 WO 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 (5 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-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS RNGTT, RNMT, CPSF7 FDPS 2005/4885SMPD1 2032/4885AKR1B1 4271/4885
US-20120010164-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS FDPS 949/4885SMPD1 1005/4885AKR1B1 2677/4885
US-11866754-B2 Trinucleotide mRNA cap analogs RNGTT, RNMT, CPSF7 FDPS 2005/4885SMPD1 2032/4885AKR1B1 4271/4885
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING RNGTT, RNMT, NSUN2 FDPS 1851/4885SMPD1 1445/4885AKR1B1 4248/4885
US-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES POLR2E, POLR2H, POLRMT FDPS 1264/4885SMPD1 1986/4885AKR1B1 1578/4885

“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.