Oxalic Acid

Oxalic Acid

SCHEMBL3322141

CC1(C)[C@@H](CCOCc2ccccc2)C[C@H]1CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O

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 16)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.39
GRM5 P41594 4/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL3317718 0.95 TSHR (0.46) GRM5TSHRALDH1A1KDM4ESIGMAR1
SCHEMBL3318195 0.95 TSHR (0.46) GRM5TSHRALDH1A1KDM4ESIGMAR1
Oxalic Acid SCHEMBL3319380 0.90 TMEM97 (0.42) ALDH1A1KDM4ETMEM97SIGMAR1LMNA
SCHEMBL3318807 0.84 RAB9A (0.41) ALDH1A1KDM4ESIGMAR1MAPTMEN1
SCHEMBL3316755 0.84 TSHR (0.47) GRM5TSHRALDH1A1KDM4ESIGMAR1
SCHEMBL3318258 0.84 RAB9A (0.41) ALDH1A1KDM4ESIGMAR1MAPTMEN1
SCHEMBL3316782 0.84 LTA4H (0.48) ALDH1A1KDM4ELMNAHTTRAB9A
SCHEMBL3317601 0.83 LTA4H (0.38) ALDH1A1KDM4ESIGMAR1MAPTLMNA
SCHEMBL3318932 0.83 LTA4H (0.38) ALDH1A1KDM4ESIGMAR1MAPTLMNA
SCHEMBL3316138 0.82 LTA4H (0.47) ALDH1A1KDM4ESIGMAR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP claimed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US claimed
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
EP-2066648-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-06-10 EP disclosed
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 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-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 OPRM1 6/4885GRM5 375/4885TSHR 785/4885

“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.