Oxalic Acid

Oxalic Acid

SCHEMBL4687445

CCCCOc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.64

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 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.64
ADRA2A P08913 11/20 0.61
ADRA2B P18089 10/20 0.61
ADRA2C P18825 10/20 0.61
GPR65 Q8IYL9 1/20 0.60
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAD52 P43351 1/20 0.49

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 SCHEMBL4688406 0.98 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CGPR65
Oxalic Acid SCHEMBL4693696 0.97 PTGIR (0.60) PTGIRADRA2AADRA2BADRA2CGPR65
Oxalic Acid SCHEMBL4690887 0.96 PTGIR (0.64) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL7886183 0.93 PTGIR (0.73) PTGIRADRA2AADRA2BADRA2CGPR65
Hydrochloric Acid SCHEMBL4743710 0.92 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL7894000 0.91 PTGIR (0.70) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL27028807 0.89 PTGIR (0.73) PTGIRADRA2AADRA2BADRA2CGPR65
Oxalic Acid SCHEMBL4693632 0.88 ADRA2A (0.65) PTGIRADRA2AADRA2BADRA2CGPR65
Oxalic Acid SCHEMBL4692673 0.85 PTGIR (0.55) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL4688349 0.84 ADRA2A (0.70) PTGIRADRA2AADRA2BADRA2CGPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902018-B1 2-(Arylphenyl)amino-imidazoline derivatives HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 PTGIR 17/4885ADRA2A 223/4885ADRA2B 256/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R PTGIR 34/4885ADRA2A 32/4885ADRA2B 41/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 PTGIR 37/4885ADRA2A 26/4885ADRA2B 38/4885

“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.