Oxalic Acid

Oxalic Acid

SCHEMBL1532842

O=C(O)C(=O)O.O=C(O)N1CCCCC1c1cccnc1

nearest known ligand 0.68

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
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
CHRNB2 P17787 3/20 0.58
CHRNA7 P36544 3/20 0.58
CHRNA4 P43681 3/20 0.58
LMNA P02545 2/20 0.57
BLM P54132 1/20 0.57
ALOX15 P16050 1/20 0.57
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA2 Q15822 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
PSIP1 O75475 1/20 0.56
TRPA1 O75762 1/20 0.56
HTR3B O95264 1/20 0.56
CHRNA1 P02708 1/20 0.56

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
SCHEMBL27603665 0.87 CHRNB2 (0.62) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL13024504 0.85 CHRNB2 (0.63) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL31430919 0.85 CHRNB2 (0.59) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL1962198 0.85 CHRNB2 (0.59) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL30350219 0.83 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1KMT2ACHRNB2
SCHEMBL38658031 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL18701778 0.82 RIPK1 (0.65) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL21078063 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL5300891 0.82 LMNA (0.67) ALDH1A1KDM4ETDP1MEN1HPGD
SCHEMBL216202 0.81 RIPK1 (0.62) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 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 (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-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH ALDH1A1 113/4885KDM4E 1156/4885TDP1 3113/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 ALDH1A1 133/4885KDM4E 818/4885TDP1 2497/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 ALDH1A1 134/4885KDM4E 838/4885TDP1 2428/4885

“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.