Oxalic Acid

Oxalic Acid

SCHEMBL4574093

CC(C)CCNN.O=C(O)C(=O)O

nearest known ligand 0.52

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
ALOX15 P16050 1/20 0.52
ANPEP P15144 5/20 0.41
RNPEP Q9H4A4 4/20 0.41
DNPEP Q9ULA0 4/20 0.41
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
LAP3 P28838 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL108383 0.84
Hydrochloric Acid SCHEMBL360140 0.82
Hydrochloric Acid SCHEMBL11358065 0.82
Sulfuric Acid SCHEMBL360059 0.81 ALDH1A1 (0.39) ALOX15ANPEPRNPEPDNPEPRAB9A
Phosphoric Acid SCHEMBL360167 0.81 MMP8 (0.41) ANPEPRNPEPDNPEPSMN1; SMN2LAP3
Stearic Acid SCHEMBL3232952 0.76 GPR84 (0.57) ALOX15
Oxalic Acid SCHEMBL11353504 0.74 ALOX15 (0.60) ALOX15SLC1A2SLC1A1CA1
Oxalic Acid SCHEMBL283076 0.72 ALOX15 (0.73) ALOX15CA1
SCHEMBL19672460 0.71
SCHEMBL13703456 0.71 ANPEP (0.46) ANPEPRNPEPDNPEPRAB9ASMN1; SMN2

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
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-20080090814-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
CN-101137651-A Pyridazinone compounds ANADYS PHARMACEUTICALS INC (US) 2008-03-05 CN disclosed
EP-1824847-A2 PYRIDAZINONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
US-20060189602-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006066079-A2 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2006-06-22 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090814-A1 PYRIDAZINONE COMPOUNDS HAVCR2, PLPBP, CYP3A43 ALOX15 1524/4885ANPEP 1147/4885RNPEP 1429/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 ALOX15 91/4885ANPEP 4440/4885RNPEP 4446/4885
US-20060189602-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALOX15 1524/4885ANPEP 1147/4885RNPEP 1429/4885
US-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 ALOX15 1524/4885ANPEP 1147/4885RNPEP 1429/4885

“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.