Oxalic Acid

Oxalic Acid

SCHEMBL386412

Cc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1.O=C(O)C(=O)O

nearest known ligand 0.38

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 7/20 0.38
ALDH1A1 P00352 7/20 0.38
EGLN1 Q9GZT9 1/20 0.35
GRM5 P41594 1/20 0.34
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
KCNH2 Q12809 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPARA Q07869 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL385682 0.95 GRM5 (0.37) EGLN1GRM5KCNH2TRPM8
Oxalic Acid SCHEMBL387197 0.91 ALDH1A1 (0.44) KDM4EALDH1A1EGLN1GRM5RAB9A
Oxalic Acid SCHEMBL387495 0.89 RAB9A (0.40) KDM4EALDH1A1RAB9AKMT2AMEN1
Oxalic Acid SCHEMBL382546 0.89 KDM4E (0.36) KDM4EALDH1A1RAB9AKMT2AMEN1
SCHEMBL386413 0.86 GRM5 (0.34) KDM4EALDH1A1EGLN1GRM5RAB9A
Oxalic Acid SCHEMBL387319 0.86 KDM4E (0.37) KDM4EALDH1A1RAB9AKMT2AMEN1
SCHEMBL386545 0.85 KCNH2 (0.39) KDM4EALDH1A1EGLN1GRM5RAB9A
SCHEMBL384086 0.85 KCNH2 (0.39) KDM4EALDH1A1EGLN1GRM5RAB9A
SCHEMBL385512 0.84 ALDH1A1 (0.34) ALDH1A1EGLN1RAB9APPARATRPM8
SCHEMBL5530328 0.84 RAB9A (0.39) ALDH1A1RAB9AKMT2AMEN1L3MBTL1

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 KDM4E 2134/4885ALDH1A1 945/4885EGLN1 975/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885ALDH1A1 2821/4885EGLN1 698/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885ALDH1A1 582/4885EGLN1 1057/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885ALDH1A1 1443/4885EGLN1 2269/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885ALDH1A1 898/4885EGLN1 1964/4885

“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.