Oxalic Acid

Oxalic Acid

SCHEMBL6491845

CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1cccs1.O=C(O)C(=O)O

nearest known ligand 0.65

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 17/20 0.65
OPRM1 known ✓ P35372 1/20 0.48
SLC6A2 P23975 17/20 0.65
NOS2 P35228 12/20 0.65
CYP2D6 P10635 11/20 0.65
KCNH2 Q12809 3/20 0.65
CACNA2D1 P54289 1/20 0.50
SLC6A3 Q01959 7/20 0.49
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD2 P14416 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL6499450 0.94 SLC6A2 (0.69) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Oxalic Acid SCHEMBL6491445 0.83 NOS2 (0.60) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6500049 0.81 SLC6A2 (0.53) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6552948 0.80 NOS2 (0.73) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6501018 0.80 NOS2 (0.73) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6501014 0.80 NOS2 (0.73) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Fumaric Acid SCHEMBL6490035 0.80 NOS2 (0.73) SLC6A2SLC6A4NOS2CYP2D6KCNH2
Oxalic Acid SCHEMBL3799 0.80 SLC6A4 (0.58) SLC6A2SLC6A4CYP2D6KCNH2CACNA2D1
SCHEMBL6492801 0.80 SLC6A2 (0.52) SLC6A2SLC6A4NOS2CYP2D6KCNH2
SCHEMBL6492744 0.80 NOS2 (0.66) SLC6A2SLC6A4NOS2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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 (1 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 SLC6A4 2468/4885OPRM1 143/4885SLC6A2 1776/4885

“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.