Oxalic Acid

Oxalic Acid

SCHEMBL526172

C[C@H](Cc1cc(C#N)c2c(c1)CCN2CCCOC(=O)c1ccccc1)NCCOc1ccccc1OCC(F)(F)F.O=C(O)C(=O)O

nearest known ligand 0.62

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
OPRM1 known ✓ P35372 2/20 0.62
SLC6A4 known ✓ P31645 1/20 0.44
ADRA1A P35348 20/20 0.62
ADRA1D P25100 19/20 0.62
ADRA1B P35368 19/20 0.62
HTR1A P08908 2/20 0.62
ADRA2A P08913 2/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62
HRH1 P35367 2/20 0.62
DRD3 P35462 2/20 0.62
HTR2B P41595 2/20 0.62
SLC6A3 Q01959 2/20 0.62
KCNH2 Q12809 2/20 0.62
ADRB2 P07550 1/20 0.62
DRD2 P14416 1/20 0.62
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
PTGS1 P23219 1/20 0.62
HTR1D P28221 1/20 0.62

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 SCHEMBL28644141 1.00 ADRA1A (0.62) ADRA1AADRA1DADRA1BHTR1AADRA2A
Oxalic Acid SCHEMBL28644138 1.00 ADRA1A (0.62) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL13729913 0.99 ADRA1A (0.64) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL28926323 0.99 ADRA1A (0.64) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL524564 0.99 ADRA1A (0.64) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL18157802 0.95 ADRA1D (0.62) ADRA1AADRA1DADRA1BHTR1AADRA2A
Alpha-Ketoglutaric Acid SCHEMBL17026691 0.94 ADRA1D (0.58) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL28996811 0.91 ADRA1D (0.66) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL13037438 0.91 ADRA1A (0.59) ADRA1AADRA1DADRA1BHTR1AADRA2A
SCHEMBL19730677 0.91 ADRA1D (0.55) ADRA1AADRA1DADRA1BHTR1AADRA2A

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
EP-1806340-B1 INDOLINE COMPOUND AND PROCESS FOR PRODUCING THE SAME KISSEI PHARMACEUTICAL (JP) 2011-05-04 EP claimed
US-7834193-B2 Indoline compound and process for producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US claimed
US-20070197627-A1 Indoline compound and process for producting the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US claimed
EP-1806340-A1 INDOLINE COMPOUND AND PROCESS FOR PRODUCING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2007-07-11 EP claimed
US-20180339964-A1 THE PROCESS OF PREPARING INDOLINE COMPOUNDS AND A NOVEL INDOLINESALT BIOCON LIMITED (IN) 2018-11-29 US disclosed
WO-2012014186-A1 PROCESS FOR THE PREPARATION OF SILODOSIN AND ITS NOVEL INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed
EP-1806340-B1 INDOLINE COMPOUND AND PROCESS FOR PRODUCING THE SAME KISSEI PHARMACEUTICAL (JP) 2011-05-04 EP disclosed
US-7834193-B2 Indoline compound and process for producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20070197627-A1 Indoline compound and process for producting the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1806340-A1 INDOLINE COMPOUND AND PROCESS FOR PRODUCING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2007-07-11 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 (2 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-20180339964-A1 THE PROCESS OF PREPARING INDOLINE COMPOUNDS AND A NOVEL INDOLINESALT BPHL, QPCT, DAO OPRM1 1126/4885SLC6A4 798/4885ADRA1A 609/4885
US-20070197627-A1 Indoline compound and process for producting the same BPHL, DAO, INHA OPRM1 298/4885SLC6A4 1703/4885ADRA1A 1628/4885

“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.