Oxalic Acid

Oxalic Acid

SCHEMBL387495

Cc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1C.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 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 6/20 0.40
MAPT P10636 4/20 0.40
HSP90AA1 P07900 1/20 0.40
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5530328 0.95 RAB9A (0.39) RAB9ANPC1MAPTHSP90AA1TDP1
SCHEMBL383552 0.95 RAB9A (0.39) RAB9ANPC1MAPTHSP90AA1TDP1
Oxalic Acid SCHEMBL386412 0.89 KDM4E (0.38) RAB9ANPC1TDP1L3MBTL1ALDH1A1
Oxalic Acid SCHEMBL387319 0.87 KDM4E (0.37) RAB9ANPC1TDP1POLBALDH1A1
SCHEMBL387496 0.87 MAPT (0.40) RAB9ANPC1MAPTHSP90AA1TDP1
Oxalic Acid SCHEMBL387197 0.87 ALDH1A1 (0.44) RAB9ATDP1ALDH1A1KDM4EMEN1
Oxalic Acid SCHEMBL382546 0.85 KDM4E (0.36) RAB9ANPC1MAPTTDP1POLB
SCHEMBL383973 0.84 S1PR4 (0.41) RAB9ANPC1MAPTHSP90AA1TDP1
SCHEMBL385682 0.84 GRM5 (0.37)
Oxalic Acid SCHEMBL386036 0.84 EGLN1 (0.41) RAB9ANPC1ALDH1A1KDM4EMEN1

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 RAB9A 1886/4885NPC1 4382/4885MAPT 3715/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 RAB9A 2460/4885NPC1 1364/4885MAPT 3338/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB RAB9A 2503/4885NPC1 1745/4885MAPT 2117/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 RAB9A 1873/4885NPC1 4117/4885MAPT 1819/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A RAB9A 919/4885NPC1 4240/4885MAPT 3634/4885

“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.