Oxalic Acid

Oxalic Acid

SCHEMBL3544682

COc1ccc(CC2CCNC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.59

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
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 2/20 0.50
EED O75530 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC2A1 P11166 1/20 0.44
GBA1 P04062 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL27812848 0.91 EED (0.57) SMN1; SMN2ALDH1A1EEDTDP1GBA1
SCHEMBL3163390 0.82 EED (0.70) ALDH1A1EEDTDP1
SCHEMBL13576644 0.82 EED (0.70) ALDH1A1EEDTDP1
SCHEMBL3155613 0.82 TDP1 (0.63) SMN1; SMN2ALDH1A1EEDTDP1GBA1
Oxalic Acid SCHEMBL1760844 0.81 GBA1 (0.47) ALDH1A1GBA1
Bromide SCHEMBL7254135 0.81 TDP1 (0.61) SMN1; SMN2ALDH1A1EEDTDP1GBA1
Hydrochloric Acid SCHEMBL4778145 0.81 TDP1 (0.66) SMN1; SMN2ALDH1A1TDP1GBA1
Oxalic Acid SCHEMBL1760951 0.78 SLC6A2 (0.44) SLC2A1GBA1
Hydrochloric Acid SCHEMBL23830547 0.77 TDP1 (0.47) SMN1; SMN2ALDH1A1EEDTDP1MEN1
SCHEMBL29889440 0.77 HTT (0.48) EEDTDP1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
EP-1778675-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF Cylene Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006015150-A1 CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF CYLENE PHARMACEUTICALS (US) 2006-02-09 WO disclosed
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof CYLENE PHARMACEUTICALS 2006-02-02 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 (2 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 SMN1; SMN2 3710/4885ALDH1A1 86/4885EED 2209/4885
US-20060025468-A1 Chiral pyrrolidine derivatives, and methods for preparing compounds thereof PIN1, HPD, DHPS SMN1; SMN2 4589/4885ALDH1A1 1117/4885EED 1726/4885

“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.