Oxalic Acid

Oxalic Acid

SCHEMBL467239

O=C(O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
HTR2A P28223 5/20 0.95
KDM4E B2RXH2 1/20 0.95
CYP1A2 P05177 1/20 0.95
CYP3A4 P08684 1/20 0.95
CYP2D6 P10635 1/20 0.95
HTR2C P28335 3/20 0.70
HTR7 P34969 3/20 0.70
HTR6 P50406 3/20 0.70
KCNH2 Q12809 1/20 0.69

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
SCHEMBL4211202 0.98 HTR2A (1.00) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9373922 0.96 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9375390 0.96 HTR2A (0.98) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9374754 0.95 HTR2A (0.95) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1582470 0.89 HTR2A (0.87) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7368435 0.89 HTR2A (0.83) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7418228 0.88 HTR2A (0.85) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7252912 0.85 HTR2A (0.77) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9650868 0.84 HTR2A (0.82) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL27497536 0.82 HTR2A (0.72) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11278549-B2 Method of treating obesity MCMASTER UNIVERSITY (CA) 2022-03-22 US claimed
EP-2254579-B1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY ESTEVE LABOR DR (ES) 2018-01-10 EP claimed
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP claimed
WO-2010101649-A2 SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION GASTAMINZA PABLO (US) 2010-09-10 WO claimed
EP-2090311-A1 Use of compounds binding to the sigma receptor ligands for the treatment of neuropathic pain developing as a consequence of chemotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-08-19 EP claimed
EP-1829534-A1 Use of compounds binding to the sigma receptor for the treatment of metabolic syndrome LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
CN-1988896-A Use of compounds active on the sigma receptor for the treatment of mechanical allodynia ESTEVE LABOR DR (ES) 2007-06-27 CN claimed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP claimed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US claimed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
US-11278549-B2 Method of treating obesity MCMASTER UNIVERSITY (CA) 2022-03-22 US disclosed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
EP-2254579-B1 USE OF COMPOUNDS BINDING TO THE SIGMA RECEPTOR LIGANDS FOR THE TREATMENT OF NEUROPATHIC PAIN DEVELOPING AS A CONSEQUENCE OF CHEMOTHERAPY ESTEVE LABOR DR (ES) 2018-01-10 EP disclosed
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
EP-1660079-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-31 EP disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US disclosed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 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 (3 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-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A HTR2A 3/4885KDM4E 2950/4885CYP1A2 294/4885
US-11278549-B2 Method of treating obesity GPR119, HTR2A, GIPR HTR2A 2/4885KDM4E 3313/4885CYP1A2 936/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A HTR2A 3/4885KDM4E 4399/4885CYP1A2 591/4885

“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.