Oxalic Acid

Oxalic Acid

SCHEMBL4772709

CCN1CCN(c2nc(/C=C/c3ccc(CS(C)(=O)=O)cc3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.40

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
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 2/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 SCHEMBL6288887 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL4770263 0.95 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL6292030 0.95 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
Oxalic Acid SCHEMBL7669140 0.89 FLT3 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
Oxalic Acid SCHEMBL7669148 0.89 FLT3 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
Oxalic Acid SCHEMBL4772095 0.84 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
Oxalic Acid SCHEMBL4772102 0.84 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
Oxalic Acid SCHEMBL4772097 0.84 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL6289119 0.84 KDM2B (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL6289118 0.84 KDM2B (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA

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-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 SMN1; SMN2 27/4885ALDH1A1 2989/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885ALDH1A1 1071/4885HPGD 1548/4885

“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.