Gluconic Acid

Gluconic Acid

SCHEMBL4091887

CC(O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn].[Zn]

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Gluconic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.79
LMNA P02545 2/20 0.55
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
OR51E2 Q9H255 1/20 0.36

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
Gluconic Acid SCHEMBL29089144 0.98 PDE4A (0.76) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL27466658 0.98 PDE4A (0.83) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL30528009 0.98 PDE4A (0.83) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL872998 0.98 PDE4A (0.83) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL27816908 0.96 PDE4A (0.79) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL5095328 0.96 PDE4A (0.79) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL20298871 0.96 PDE4A (0.79) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL25311486 0.94 PDE4A (0.76) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL377416 0.94 PDE4A (0.76) PDE4ALMNAUSP2SLCO1B1TP53
Gluconic Acid SCHEMBL4165306 0.94 PDE4A (0.76) PDE4ALMNAUSP2SLCO1B1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197853-A1 METHODS AND COMPOSITIONS OF TREATING CANCER PHARMACYCLICS, INC. (US) 2009-08-06 US claimed
EP-1486199-B1 Alcoholic aerosol deodorant composition containing zinc salicylate OREAL (FR) 2007-10-17 EP claimed
WO-2007059329-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER PHARMACYCLICS, INC. (US) 2007-05-24 WO claimed
US-20090197853-A1 METHODS AND COMPOSITIONS OF TREATING CANCER PHARMACYCLICS, INC. (US) 2009-08-06 US disclosed
EP-1845998-A4 A METHOD FOR TREATING NEUROLOGIC DISEASES PHARMACYCLICS INC (US) 2008-06-18 EP disclosed
EP-1845998-A2 A METHOD FOR TREATING NEUROLOGIC DISEASES Pharmacyclics, Inc. (US) 2007-10-24 EP disclosed
WO-2007059329-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER PHARMACYCLICS, INC. (US) 2007-05-24 WO disclosed
WO-2006078875-A2 A METHOD FOR TREATING NEUROLOGIC DISEASES PHARMACYCLICS, INC. (US) 2006-07-27 WO disclosed
US-20060160784-A1 Method for treating neurologic diseases PHARMACYCLICS, INC. 2006-07-20 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-20060160784-A1 Method for treating neurologic diseases SOD1, CLN6, SMN1; SMN2 PDE4A 3424/4885LMNA 1303/4885USP2 1835/4885
US-20090197853-A1 METHODS AND COMPOSITIONS OF TREATING CANCER SOD3, TSG101, GPX4 PDE4A 4627/4885LMNA 1680/4885USP2 282/4885

“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.