Oxalic Acid

Oxalic Acid

SCHEMBL387319

COc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1OC.O=C(O)C(=O)O

nearest known ligand 0.37

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 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
PKM P14618 1/20 0.31
MELK Q14680 1/20 0.31
PTGER4 P35408 1/20 0.31
EGFR P00533 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
SCHEMBL385941 0.95 MELK (0.33) KMT2ANPC1RAB9AMEN1MELK
SCHEMBL387320 0.87 MEN1 (0.32) KDM4EALDH1A1KMT2ANPC1RAB9A
Oxalic Acid SCHEMBL387495 0.87 RAB9A (0.40) KDM4EALDH1A1KMT2ANPC1RAB9A
Oxalic Acid SCHEMBL386412 0.86 KDM4E (0.38) KDM4EALDH1A1LMNAKMT2ANPC1
Oxalic Acid SCHEMBL387197 0.85 ALDH1A1 (0.44) KDM4EALDH1A1LMNAKMT2ARAB9A
SCHEMBL386197 0.85 S1PR4 (0.40) KMT2ANPC1RAB9AMEN1MELK
SCHEMBL387098 0.84 S1PR1 (0.41) KMT2ANPC1RAB9AMEN1MELK
Oxalic Acid SCHEMBL382546 0.83 KDM4E (0.36) KDM4EALDH1A1LMNAKMT2ANPC1
Oxalic Acid SCHEMBL386036 0.82 EGLN1 (0.41) KDM4EALDH1A1LMNAKMT2ANPC1
SCHEMBL5530328 0.82 RAB9A (0.39) ALDH1A1KMT2ANPC1RAB9AMEN1

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 945/4885LMNA 4143/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KDM4E 1874/4885ALDH1A1 2821/4885LMNA 3060/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KDM4E 2136/4885ALDH1A1 582/4885LMNA 1187/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KDM4E 2748/4885ALDH1A1 1443/4885LMNA 2699/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KDM4E 2823/4885ALDH1A1 898/4885LMNA 1759/4885

“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.