Sugi Predict

Sugi Predict / Compounds / Oxalic Acid

Oxalic Acid

Oxalic Acid

SCHEMBL5869712

NCC[C@@H](Oc1cccc2ccsc12)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.50

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 known ✓ P31645 9/20 0.48
▸ SLC6A2 P23975 12/20 0.48
▸ NOS2 P35228 6/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ SLC6A3 Q01959 3/20 0.46
▸ KCNK2 O95069 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ PMP22 Q01453 1/20 0.36
▸ SLC6A9 P48067 2/20 0.35
▸ F9 P00740 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLAU P00749 1/20 0.35

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 SCHEMBL5869404 1.00 SLC6A2 (0.48) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL5869360 0.85 SLC6A2 (0.60) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL5869362 0.85 SLC6A2 (0.60) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL6560834 0.85 SLC6A2 (0.60) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL5869317 0.81 SLC6A4 (0.50) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL5869371 0.81 SLC6A4 (0.50) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
SCHEMBL5869174 0.81 SLC6A2 (0.44) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL5869168 0.81 SLC6A2 (0.44) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL5869716 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3PMP22SLC6A9
SCHEMBL5869415 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3PMP22SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 — — US disclosed
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 — — EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 — — US disclosed
EP-1397129-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-17 — — EP disclosed
WO-2002094262-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-11-28 — — 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 (1 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-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 SLC6A4 7/4885SLC6A2 5/4885NOS2 1895/4885

“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.