Oxalic Acid

Oxalic Acid

SCHEMBL5212893

CN1CCC(C(=O)c2cccc(NC(=S)Nc3cccc(C(F)(F)F)c3)c2)CC1.O=C(O)C(=O)O

nearest known ligand 0.58

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 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.58
LMNA P02545 5/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 5/20 0.48
TP53 P04637 1/20 0.48
TRPV4 Q9HBA0 1/20 0.48
MAPT P10636 3/20 0.48
UBE2M P61081 3/20 0.48
DCUN1D1 Q96GG9 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.47

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 SCHEMBL27457318 0.88 HTR1F (0.60) HTR1FLMNAALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL5212883 0.87 HTR1F (0.54) HTR1FLMNAALDH1A1MAPTGAA
SCHEMBL5210602 0.86 HTR1F (0.59) HTR1FLMNAKDM4EALDH1A1TP53
SCHEMBL5209513 0.86 HTR1F (0.65) HTR1FLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL5210296 0.85 HTR1F (0.71) HTR1FLMNAALDH1A1TP53TRPV4
SCHEMBL5209968 0.83 HTR1F (0.71) HTR1FALDH1A1GAAMEN1KMT2A
SCHEMBL5214686 0.82 HTR1F (0.80) HTR1FLMNAALDH1A1TP53MAPT
SCHEMBL5208065 0.82 HTR1F (0.76) HTR1FLMNASMN1; SMN2GAAMEN1
SCHEMBL27548901 0.82 HTR1F (0.69) HTR1FGAAMEN1KMT2A
SCHEMBL5210311 0.82 HTR1F (0.62) HTR1FLMNAALDH1A1SMN1; SMN2GAA

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
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 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 (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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E HTR1F 1/4885LMNA 2607/4885KDM4E 3427/4885

“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.