Bicarbonate

Bicarbonate

SCHEMBL9501977

O=C(O)O.O=S(=O)(NCCC1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.56

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 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.55
PPARG P37231 1/20 0.55
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9259550 0.85 MEN1 (0.57) TBXA2RKMT2ACYP2C9ALDH1A1MEN1
SCHEMBL9259912 0.85 TBXA2R (0.54) TBXA2RPPARGKMT2AALDH1A1GAA
SCHEMBL9256799 0.85 TBXA2R (0.54) TBXA2RPPARGKMT2AALDH1A1GAA
SCHEMBL9253452 0.85 TBXA2R (0.54) TBXA2RPPARGKMT2AALDH1A1GAA
SCHEMBL5649817 0.83 KMT2A (0.52) TBXA2RPPARGKMT2AALDH1A1KDM4E
SCHEMBL8397048 0.83 GBA1 (0.58) PPARGKMT2AALDH1A1KDM4ETSHR
SCHEMBL8391910 0.83 GBA1 (0.58) PPARGKMT2AALDH1A1KDM4ETSHR
SCHEMBL9261756 0.82 FABP4 (0.52) TBXA2RALDH1A1
SCHEMBL9505643 0.82 TBXA2R (0.52) TBXA2RKMT2AALDH1A1GAAMEN1
SCHEMBL9264642 0.82 TBXA2R (0.53) TBXA2RPPARGKMT2AALDH1A1MEN1

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
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP claimed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP disclosed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP disclosed