Bicarbonate

Bicarbonate

SCHEMBL16975005

O=C(O)O.SSc1ccccn1

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
EHMT2 Q96KQ7 1/20 0.52
EHMT1 Q9H9B1 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42

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
Carbamic Acid SCHEMBL16975014 0.92 ALDH1A1 (0.50) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL35924 0.89
Acrylic Acid SCHEMBL1500467 0.87 ALDH1A1 (0.46) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Propionic Acid SCHEMBL6660723 0.87 ALDH1A1 (0.54) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Ammonia Solution, Strong SCHEMBL7972300 0.87
SCHEMBL28128254 0.87
Hydrochloric Acid SCHEMBL10707245 0.87
Methacrylic Acid SCHEMBL421102 0.86 ALDH1A1 (0.45) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Pyridine SCHEMBL27614389 0.85 EHMT2 (0.54) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Ethylene Glycol SCHEMBL5087076 0.83 EHMT2 (0.52) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928796-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenöessische Technische Hochschule Zurich (CH) 2021-12-29 EP disclosed
US-11180522-B2 Disulfide-linked reversible terminators CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2021-11-23 US disclosed
EP-3730154-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-06-30 EP disclosed
EP-3424537-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-01-13 EP disclosed
EP-3730154-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2020-10-28 EP disclosed
EP-3102241-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2019-04-17 EP disclosed
EP-3091026-B1 DISULFIDE-LINKED REVERSIBLE TERMINATORS CENTRILLION TECH HOLDINGS CORP (KY) 2019-02-20 EP disclosed
EP-3424537-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2019-01-09 EP disclosed
EP-3102241-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2016-12-14 EP disclosed
US-20160355541-A1 DISULFIDE-LINKED REVERSIBLE TERMINATORS CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2016-12-08 US disclosed
WO-2016182984-A1 DISULFIDE-LINKED REVERSIBLE TERMINATORS CENTRILLION TECHNOLOGY HOLDINGS CORPORATION (KY) 2016-11-17 WO disclosed
EP-3091026-A1 DISULFIDE-LINKED REVERSIBLE TERMINATORS Centrillion Technology Holdings Corporation (KY) 2016-11-09 EP disclosed
WO-2015114171-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2015-08-06 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 (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-11180522-B2 Disulfide-linked reversible terminators RNGTT, NSUN3, NSUN2 ALDH1A1 3688/4885EHMT2 3291/4885EHMT1 2672/4885
US-20160355541-A1 DISULFIDE-LINKED REVERSIBLE TERMINATORS RNGTT, NSUN2, NSUN3 ALDH1A1 3864/4885EHMT2 2497/4885EHMT1 2670/4885

“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.