Sugi Predict

Sugi Predict / Compounds / Oxalic Acid

Oxalic Acid

Oxalic Acid

SCHEMBL4013440

CN(C(=O)OC(C)(C)C)C1CCCNC1.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 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 known ✓ P31645 9/20 0.36
▸ HSD11B1 P28845 1/20 0.37
▸ SLC6A1 P30531 2/20 0.37
▸ SLC6A11 P48066 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A13 Q9NSD5 1/20 0.37
▸ SLC6A2 P23975 8/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SLC6A3 Q01959 6/20 0.34
▸ CYP2D6 P10635 5/20 0.34
▸ CHRM3 P20309 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32

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 SCHEMBL1624265 1.00 HSD11B1 (0.37) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL715627 0.96 HSD11B1 (0.39) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL1267151 0.96 HSD11B1 (0.39) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL2521256 0.96 HSD11B1 (0.39) HSD11B1SLC6A1SLC6A11TSHRLMNA
SCHEMBL65492 0.86 SLC6A4 (0.42) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL181909 0.86 SLC6A4 (0.42) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL1033810 0.86 SLC6A4 (0.42) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL25408690 0.85 SLC6A4 (0.41) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL31485474 0.85 SLC6A4 (0.41) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3
Ammonia Solution, Strong SCHEMBL19410295 0.85 SLC6A4 (0.41) HSD11B1SLC6A4SLC6A2KCNH2SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 — — US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 — — EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 — — WO 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SLC6A4 198/4885HSD11B1 4751/4885SLC6A1 174/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SLC6A4 198/4885HSD11B1 4751/4885SLC6A1 174/4885

“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.