Oxalic Acid

Oxalic Acid

SCHEMBL1375165

CCC(N)(CC)CP(=O)(O)O.O=C(O)C(=O)O

nearest known ligand 0.35

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 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.35
GRM4 Q14833 1/20 0.35
LAP3 P28838 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMPD1 P17405 2/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL1378555 0.91 FDPS (0.41) FDPSGRM4LAP3SMPD1
Oxalic Acid SCHEMBL3175190 0.79 GRM4 (0.52) FDPSGRM4MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL28604501 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1CYP1A2THRB
SCHEMBL11474902 0.75 GRM4 (0.42) FDPSGRM4LAP3MEN1KMT2A
SCHEMBL13523040 0.75 GRM4 (0.44) FDPSGRM4LAP3LMNASMPD1
Phosphoric Acid SCHEMBL4405672 0.73 FDPS (0.46) FDPSGRM4LAP3SMPD1
Oxalic Acid SCHEMBL1378538 0.73 FDPS (0.43) FDPSGRM4LAP3MEN1KMT2A
SCHEMBL8754504 0.72 FDPS (0.41) FDPSGRM4LAP3SMPD1
Ammonia Solution, Strong SCHEMBL10336251 0.72 FDPS (0.41) FDPSGRM4LAP3THRBSMPD1
Oxalic Acid SCHEMBL28609104 0.72 ARG1 (0.39) MEN1KMT2AALDH1A1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES FARDIS MARIA 2009-06-18 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
EP-1742642-B1 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2008-10-15 EP disclosed
US-7432273-B2 Phosphonate analogs of antimetabolites GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 US disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 US disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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 (8 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-20090156558-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES TYMP, PHOSPHO1, PHPT1 FDPS 183/4885GRM4 3176/4885LAP3 1060/4885
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG FDPS 363/4885GRM4 794/4885LAP3 1381/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP FDPS 386/4885GRM4 2841/4885LAP3 1120/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN FDPS 649/4885GRM4 3161/4885LAP3 1926/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 FDPS 183/4885GRM4 3176/4885LAP3 1060/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE FDPS 351/4885GRM4 4445/4885LAP3 1228/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE FDPS 351/4885GRM4 4445/4885LAP3 1228/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN FDPS 649/4885GRM4 3161/4885LAP3 1926/4885

“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.