Oxalic Acid

Oxalic Acid

SCHEMBL48253

COC(=O)OC1CN(CCCOCCc2ccc3sccc3c2)C1.O=C(O)C(=O)O

nearest known ligand 0.66

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 6)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.35
SIGMAR1 Q99720 2/20 0.66
HRH3 Q9Y5N1 5/20 0.35
OPRK1 P41145 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL47955 0.97 SIGMAR1 (0.70) SIGMAR1OPRM1OPRK1HCRTR1HCRTR2
Oxalic Acid SCHEMBL47879 0.91 SIGMAR1 (0.64) SIGMAR1HRH3OPRM1OPRK1
Oxalic Acid SCHEMBL48075 0.91 SIGMAR1 (0.68) SIGMAR1HRH3OPRM1OPRK1
SCHEMBL47949 0.88 SIGMAR1 (0.67) SIGMAR1HRH3OPRM1OPRK1HCRTR1
SCHEMBL48025 0.88 SIGMAR1 (0.72) SIGMAR1OPRM1OPRK1HCRTR1HCRTR2
Oxalic Acid SCHEMBL48280 0.87 SIGMAR1 (0.66) SIGMAR1HRH3OPRM1OPRK1HCRTR1
SCHEMBL47878 0.86 SIGMAR1 (0.62) SIGMAR1OPRM1OPRK1
SCHEMBL4134386 0.86 SIGMAR1 (0.72) SIGMAR1OPRM1OPRK1HCRTR1HCRTR2
SCHEMBL48309 0.85 SIGMAR1 (0.68) SIGMAR1OPRM1OPRK1HCRTR1HCRTR2
SCHEMBL47996 0.85 SIGMAR1 (0.73) SIGMAR1OPRM1OPRK1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7087594-B2 central nervous system disorders; regenerating nervous systems TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 OPRM1 1485/4885SIGMAR1 1934/4885HRH3 2125/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 OPRM1 1485/4885SIGMAR1 1934/4885HRH3 2125/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 OPRM1 1485/4885SIGMAR1 1934/4885HRH3 2125/4885

“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.