Bicarbonate

Bicarbonate

SCHEMBL21981463

O=C(O)O.c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.85

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
SIGMAR1 Q99720 3/20 0.85
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
LMNA P02545 1/20 0.58
CXCR4 P61073 7/20 0.57
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2C P18825 1/20 0.56
CCR2 P41597 1/20 0.56
CXCL12 P48061 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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 SCHEMBL7452259 0.93 SIGMAR1 (0.79) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
Urea SCHEMBL6942597 0.93 SIGMAR1 (0.79) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL276363 0.92 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL83548 0.92 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL6138636 0.92 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL152631 0.92 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
Benzene SCHEMBL27761330 0.92 SIGMAR1 (1.00) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7573306 0.90 SIGMAR1 (0.96) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL8145866 0.90 SIGMAR1 (0.96) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9
Hydrochloric Acid SCHEMBL2223234 0.90 SIGMAR1 (0.96) SIGMAR1ALDH1A1KMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085169-A Hydrolyzed maleic anhydride copolymer scale inhibitor and preparation method thereof 安徽海螺制剂工程技术有限公司 2024-05-28 CN claimed
CN-114540843-B Electrochemical synthesis method of sulfenamide compound 上海应用技术大学 2024-01-23 CN claimed
CN-114540843-A Electrochemical synthesis method of sulfenamide compound 上海应用技术大学 2022-05-27 CN claimed
CN-118255780-A Compound for inhibiting and degrading c-MYC and medical application thereof 西藏海思科制药有限公司 2024-06-28 CN disclosed
CN-118221669-A Derivatives as DNA polymerase Theta inhibitors 艾立康药业股份有限公司 2024-06-21 CN disclosed
CN-118085169-A Hydrolyzed maleic anhydride copolymer scale inhibitor and preparation method thereof 安徽海螺制剂工程技术有限公司 2024-05-28 CN disclosed
CN-118005610-A PARP-1 degrading agent and application thereof 西藏海思科制药有限公司 2024-05-10 CN disclosed
CN-118019740-A Heteroaryl derivative PARP inhibitors and uses thereof 海思科医药集团股份有限公司 2024-05-10 CN disclosed
CN-117903225-A Liver tissue targeted delivery compound, preparation method and application thereof 思合基因(北京)生物科技有限公司 2024-04-19 CN disclosed
WO-2024066548-A1 β-ELEMENE DERIVATIVE CONTAINING PHOTOAFFINITY GROUP DIAZIRINE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS PHOTOAFFINITY MOLECULAR PROBE 杭州师范大学 2024-04-04 WO disclosed
WO-2024067857-A1 MACROCYCLIC DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2024-04-04 WO disclosed
CN-116410182-A CCR4 small molecule antagonist and application thereof 瑞石生物医药有限公司 2023-07-11 CN disclosed
CN-116323624-A Quinazoline compound and application thereof 上海医药集团股份有限公司 2023-06-23 CN disclosed
WO-2023051716-A1 HETEROARYL DERIVATIVE PARP INHIBITOR AND USE THEREOF 海思科医药集团股份有限公司 2023-04-06 WO disclosed
CN-114540843-A Electrochemical synthesis method of sulfenamide compound 上海应用技术大学 2022-05-27 CN disclosed
EP-3656782-B1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2021-12-22 EP disclosed
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-06-04 US disclosed
EP-3656782-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2020-05-27 EP disclosed
US-9422295-B2 Deuterated ibrutinib CONCERT PHARMACEUTICALS, INC. (US) 2016-08-23 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-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF VIP, NPPA, GRPR SIGMAR1 919/4885ALDH1A1 3909/4885KMT2A 3523/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR SIGMAR1 919/4885ALDH1A1 3909/4885KMT2A 3523/4885

“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.