Bicarbonate

SCHEMBL9665131

Cl.N=C(N)c1cccc(C[C@](N)(C(=O)N2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)c1.O=C(O)O

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

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 5)

	gene	UniProt	supporting neighbours	confidence
▸	F10	P00742	13/20	0.57

▸	PLG	P00747	5/20	0.57

▸	F2	P00734	4/20	0.57

▸	PRSS1	P07477	4/20	0.57

▸	PLAU	P00749	3/20	0.57

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.

Compound	similarity	top predicted	shared targets
SCHEMBL8955009	0.85	HTT (0.52)	F10PLGF2PRSS1PLAU
Hydrochloric Acid SCHEMBL8954922	0.85	F10 (0.51)	F10PLGF2PRSS1PLAU
SCHEMBL8954706	0.83	F10 (0.52)	F10PLGF2PLAU
SCHEMBL9664400	0.81	ALDH1A1 (0.47)	F10PLGF2PRSS1PLAU
Bicarbonate SCHEMBL9666014	0.80	F10 (0.49)	F10PLGF2PRSS1PLAU
SCHEMBL8954880	0.80	F10 (0.52)	F10PLGF2PLAU
Bicarbonate SCHEMBL9665066	0.80	F10 (0.45)	F10PLGF2PRSS1PLAU
SCHEMBL9710665	0.80	F10 (0.56)	F10PLGF2PRSS1PLAU
Iodide SCHEMBL8954868	0.79	F10 (0.51)	F10PLGF2PLAU
Hydrochloric Acid SCHEMBL8954995	0.79	F10 (0.49)	F10PLGF2PLAU

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0511347-A1	META-SUBSTITUTED PHENYL ALANINE DERIVATIVES	Pentapharm A.G. (CH)	1992-11-04	—	—	EP	disclosed