Oxalic Acid

Oxalic Acid

SCHEMBL382546

CSc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1.O=C(O)C(=O)O

nearest known ligand 0.36

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
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
ADAM17 P78536 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Oxalic Acid SCHEMBL386412 0.89 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2LMNARAB9A
Oxalic Acid SCHEMBL387197 0.89 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2LMNARAB9A
Oxalic Acid SCHEMBL387495 0.85 RAB9A (0.40) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL385682 0.84 GRM5 (0.37)
Oxalic Acid SCHEMBL387319 0.83 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL386545 0.83 KCNH2 (0.39) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL384086 0.83 KCNH2 (0.39) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL385512 0.81 ALDH1A1 (0.34) ALDH1A1RAB9AFFAR1MAOBAOC3
Oxalic Acid SCHEMBL386036 0.80 EGLN1 (0.41) KDM4EALDH1A1LMNARAB9AKMT2A
Oxalic Acid SCHEMBL387637 0.80 PPARG (0.36) KDM4EALDH1A1LMNARAB9AKMT2A

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 10 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
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 KDM4E 2134/4885ALDH1A1 945/4885SMN1; SMN2 4443/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885ALDH1A1 2821/4885SMN1; SMN2 2758/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885ALDH1A1 582/4885SMN1; SMN2 3687/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885ALDH1A1 1443/4885SMN1; SMN2 4596/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885ALDH1A1 898/4885SMN1; SMN2 4797/4885

“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.