Oxalic Acid

Oxalic Acid

SCHEMBL386640

C[C@](N)(CO)CCc1ccc(C#CCCCc2cccc(C(F)(F)F)c2)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
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
EPHX1 P07099 6/20 0.35
NR3C2 P08235 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
S1PR1 P21453 1/20 0.35
GRK5 P34947 1/20 0.35
CDK8 P49336 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MAPT P10636 1/20 0.34
PTGES O14684 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
SCHEMBL387731 0.95 HTR2B (0.38) GRM2GRM3HTR2BKMT2AHDAC1
Oxalic Acid SCHEMBL386563 0.88 CXCR2 (0.38) GRM2GRM3
SCHEMBL386641 0.87 HTR2B (0.39) GRM2GRM3HTR2BKDM4EKMT2A
SCHEMBL386328 0.85 ACP3 (0.39) GRM2GRM3HTR2BKMT2AHDAC1
SCHEMBL386628 0.84 GRM5 (0.38) GRM2GRM3S1PR1S1PR5
SCHEMBL386925 0.84 GRM5 (0.38) GRM2GRM3S1PR1S1PR5
SCHEMBL385583 0.83 S1PR1 (0.38) GRM2GRM3HTR2BKMT2AHDAC1
Oxalic Acid SCHEMBL386036 0.83 EGLN1 (0.41) KDM4EKMT2AMEN1
Oxalic Acid SCHEMBL387856 0.83 FFAR1 (0.38) GRM2GRM3KDM4EKMT2AMEN1
Oxalic Acid SCHEMBL387032 0.81 POLB (0.36) KDM4EHDAC1HDAC8S1PR1S1PR5

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 GRM2 1651/4885GRM3 1723/4885HTR2B 3103/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 GRM2 912/4885GRM3 653/4885HTR2B 2165/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB GRM2 2543/4885GRM3 2642/4885HTR2B 1699/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 GRM2 1656/4885GRM3 1776/4885HTR2B 3095/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A GRM2 891/4885GRM3 1326/4885HTR2B 1305/4885

“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.