Oxalic Acid

Oxalic Acid

SCHEMBL386782

C[C@](N)(CO)CCc1ccc(CCCCCc2ccccc2)o1.O=C(O)C(=O)O

nearest known ligand 0.40

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 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LTB4R Q15722 2/20 0.40
FAAH O00519 4/20 0.39
CES1 P23141 3/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
TNNC1 P63316 5/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
GPR183 P32249 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL384110 0.95 TNNC1 (0.41) MAPTRXFP1LTB4RTNNC1SGPL1
SCHEMBL386946 0.95 TNNC1 (0.41) MAPTRXFP1LTB4RTNNC1SGPL1
Oxalic Acid SCHEMBL386502 0.87 FAAH (0.42) FAAHCES1
SCHEMBL386253 0.84 FAAH (0.43) FAAHCES1
Oxalic Acid SCHEMBL386563 0.83 CXCR2 (0.38) LTB4RGRM2GRM3POLBALDH1A1
SCHEMBL386783 0.83 LMNA (0.39) MAPTRXFP1LTB4RFAAHCES1
Oxalic Acid SCHEMBL387856 0.82 FFAR1 (0.38) MAPTGRM2GRM3POLBALDH1A1
SCHEMBL385534 0.81 S1PR1 (0.50) S1PR4S1PR1S1PR3S1PR5
Oxalic Acid SCHEMBL5658166 0.79 S1PR1 (0.41) MAPTRXFP1LTB4RFAAHCES1
SCHEMBL385072 0.79 S1PR1 (0.53) S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT MAPT 3715/4885RXFP1 1194/4885LTB4R 901/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 MAPT 3338/4885RXFP1 725/4885LTB4R 39/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB MAPT 2117/4885RXFP1 635/4885LTB4R 545/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 MAPT 1819/4885RXFP1 786/4885LTB4R 257/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A MAPT 3634/4885RXFP1 1552/4885LTB4R 1213/4885

“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.