Oxalic Acid

Oxalic Acid

SCHEMBL5363766

CN1CCC(c2cn(C3CCCC3)c3ccc(OS(=O)(=O)c4ccccc4)cc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.47
KCNH2 Q12809 1/20 0.40
ENPP3 O14638 3/20 0.39
ENPP1 P22413 3/20 0.39
ENPP2 Q13822 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RORC P51449 3/20 0.38
HRH2 P25021 1/20 0.37
KDM4E B2RXH2 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
Oxalic Acid SCHEMBL5365193 0.99 HTR6 (0.46) HTR6KCNH2ENPP3ENPP1ENPP2
SCHEMBL5767861 0.96 HTR6 (0.49) HTR6KCNH2ENPP3ENPP1ALDH1A1
SCHEMBL5770873 0.95 HTR6 (0.48) HTR6KCNH2ENPP3ENPP1ENPP2
Oxalic Acid SCHEMBL5372484 0.88 HTR6 (0.57) HTR6RORCHRH2
Oxalic Acid SCHEMBL5383148 0.85 HTR6 (0.48) HTR6RORCHRH2
Oxalic Acid SCHEMBL5379558 0.84 HTR6 (0.47) HTR6ENPP3ENPP1RORCHRH2
Oxalic Acid SCHEMBL5367236 0.84 HTR6 (0.47) HTR6HRH2
Oxalic Acid SCHEMBL5372564 0.84 HTR6 (0.47) HTR6RORCHRH2
SCHEMBL5769307 0.83 HTR6 (0.61) HTR6ALDH1A1RORC
Oxalic Acid SCHEMBL5369658 0.83 HTR6 (0.46) HTR6RORCHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 US disclosed
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP disclosed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 HTR6 1/4885KCNH2 1001/4885ENPP3 880/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 HTR6 1/4885KCNH2 900/4885ENPP3 829/4885

“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.