Known targets — ChEMBL curated mechanism
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL954037 | 1.00 | SIGMAR1 (0.47) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL954469 | 0.95 | SIGMAR1 (0.51) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL957532 | 0.95 | SIGMAR1 (0.51) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL954470 | 0.95 | SIGMAR1 (0.51) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| Oxalic Acid SCHEMBL955035 | 0.92 | CA1 (0.41) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| Oxalic Acid SCHEMBL954305 | 0.92 | CA1 (0.41) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| Oxalic Acid SCHEMBL954304 | 0.92 | CA1 (0.41) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| Oxalic Acid SCHEMBL955037 | 0.92 | CA1 (0.41) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL958031 | 0.86 | CA1 (0.42) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE | |
| SCHEMBL958033 | 0.86 | CA1 (0.42) | SIGMAR1TMEM97ALDH1A1SMN1; SMN2ELANE |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9844516-B2 | Sigma ligands for use in the prevention and/or treatment of post-operative pain | Laboratorios De Dr. Esteve (ES) | 2017-12-19 | — | — | US | disclosed |
| EP-2531191-B1 | Sigma ligands for use in the prevention and/or treatment of postoperative pain | ESTEVE LABOR DR (ES) | 2016-03-30 | — | — | EP | disclosed |
| US-8394797-B2 | Substituted pyrazole sigma receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-03-12 | — | — | US | disclosed |
| US-20120302568-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-11-29 | — | — | US | disclosed |
| EP-1781619-B1 | SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2011-08-17 | — | — | EP | disclosed |
| EP-2292237-A1 | Sigma ligands for the prevention or treatment of pain induced by chemotherapy | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2011-03-09 | — | — | EP | disclosed |
| US-20110015183-A1 | SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-01-20 | — | — | US | disclosed |
| US-7829559-B2 | Substituted pyrazole sigma receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-11-09 | — | — | US | disclosed |
| US-7282499-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-16 | — | — | US | disclosed |
| US-20070232585-A1 | Sigma Receptor Inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-10-04 | — | — | US | disclosed |
| EP-1781619-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-05-09 | — | — | EP | disclosed |
| US-20060047127-A1 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-03-02 | — | — | US | disclosed |
| WO-2006021463-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-03-02 | — | — | 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 (4 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110015183-A1 | SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS | SIGMAR1, OPRK1, OPRD1 | SIGMAR1 1/4885TMEM97 4/4885ALDH1A1 1244/4885 |
| US-20070232585-A1 | Sigma Receptor Inhibitors | SIGMAR1, OPRK1, OPRL1 | SIGMAR1 1/4885TMEM97 5/4885ALDH1A1 1180/4885 |
| US-20120302568-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN | OPRL1, OPRK1, SIGMAR1 | SIGMAR1 3/4885TMEM97 6/4885ALDH1A1 1524/4885 |
| US-20060047127-A1 | Sigma receptor inhibitors | SIGMAR1, OPRK1, OPRL1 | SIGMAR1 1/4885TMEM97 4/4885ALDH1A1 2171/4885 |
“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.