Oxalic Acid

Oxalic Acid

SCHEMBL4205677

O=C(O)C(=O)O.O=C(O)N[C@@H]1CCNC1

nearest known ligand 0.48

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
EPHX1 P07099 3/20 0.48
POLB P06746 1/20 0.44
KDM1A O60341 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A1 P30531 4/20 0.39
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
SLC6A11 P48066 3/20 0.39
SLC6A13 Q9NSD5 3/20 0.39
SLC6A12 P48065 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRR1 P24046 1/20 0.39
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TSHR P16473 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37

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 SCHEMBL184386 1.00 EPHX1 (0.48) EPHX1POLBKDM1AKCNH2SLC6A1
SCHEMBL1749149 0.96
SCHEMBL512691 0.96
SCHEMBL184265 0.96
Hydrochloric Acid SCHEMBL23778361 0.94 EPHX1 (0.50) EPHX1POLBKDM1AKCNH2SLC6A1
Hydrochloric Acid SCHEMBL15589725 0.94 EPHX1 (0.50) EPHX1POLBKDM1AKCNH2SLC6A1
Hydrochloric Acid SCHEMBL25290971 0.94 EPHX1 (0.50) EPHX1POLBKDM1AKCNH2SLC6A1
SCHEMBL28797537 0.92 EPHX1 (0.54) EPHX1POLBKDM1AKCNH2SLC6A1
Chloromethane SCHEMBL28643384 0.90 EPHX1 (0.47) EPHX1POLBKDM1AKCNH2SLC6A1
Alcohol SCHEMBL28181708 0.86 KCNH2 (0.50) EPHX1POLBKDM1AKCNH2SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US 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 EPHX1 2604/4885POLB 4564/4885KDM1A 2861/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 EPHX1 2604/4885POLB 4564/4885KDM1A 2861/4885

“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.