Oxalic Acid

Oxalic Acid

SCHEMBL955593

O=C(O)C(=O)O.c1ccc(-n2ncc3c2CCC3CCN2CCc3ccccc3C2)cc1

nearest known ligand 0.67

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 1/20 0.42
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
DRD2 P14416 9/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HRH1 P35367 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.45
ACHE P22303 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL954709 0.95 SIGMAR1 (0.61) SIGMAR1TMEM97DRD2HTR1AHTR2A
Oxalic Acid SCHEMBL957587 0.94 SIGMAR1 (0.57) SIGMAR1TMEM97DRD2HTR1AHTR2A
SCHEMBL953990 0.88 SIGMAR1 (0.62) SIGMAR1TMEM97DRD2HTR1AHTR2A
Oxalic Acid SCHEMBL955896 0.88 SIGMAR1 (0.66) SIGMAR1TMEM97KDM4ETDP1
Oxalic Acid SCHEMBL956951 0.87 SIGMAR1 (0.68) SIGMAR1TMEM97KDM4EALDH1A1
Oxalic Acid SCHEMBL955825 0.86 SIGMAR1 (0.67) SIGMAR1TMEM97KDM4EALDH1A1
Oxalic Acid SCHEMBL955204 0.85 SIGMAR1 (0.61) SIGMAR1TMEM97DRD2HTR1AHTR2A
Oxalic Acid SCHEMBL955960 0.84 SIGMAR1 (0.60) SIGMAR1TMEM97ACHEKDM4EALDH1A1
Oxalic Acid SCHEMBL958609 0.84 SIGMAR1 (0.79) SIGMAR1TMEM97KDM4EALDH1A1KMT2A
Oxalic Acid SCHEMBL3560566 0.84 SIGMAR1 (0.60) SIGMAR1TMEM97ACHEKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394797-B2 Substituted pyrazole sigma receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-12 US claimed
EP-1781619-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2011-08-17 EP claimed
US-7282499-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-16 US claimed
US-20070232585-A1 Sigma Receptor Inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-04 US claimed
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP claimed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 US claimed
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
EP-1634873-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP disclosed
WO-2006021463-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 WO disclosed
US-20060047127-A1 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110015183-A1 SUBSTITUTED PYRAZOLE SIGMA RECEPTOR ANTAGONISTS SIGMAR1, OPRK1, OPRD1 SLC6A4 572/4885SIGMAR1 1/4885TMEM97 4/4885
US-20070232585-A1 Sigma Receptor Inhibitors SIGMAR1, OPRK1, OPRL1 SLC6A4 597/4885SIGMAR1 1/4885TMEM97 5/4885
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 SLC6A4 455/4885SIGMAR1 3/4885TMEM97 6/4885
US-20060047127-A1 Sigma receptor inhibitors SIGMAR1, OPRK1, OPRL1 SLC6A4 469/4885SIGMAR1 1/4885TMEM97 4/4885

“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.