Oxalic Acid

Oxalic Acid

SCHEMBL5863207

CN(C)CCCNC(=O)c1cccc(-c2ccc(CSCCOc3ccccc3)cc2)c1.O=C(O)C(=O)O

nearest known ligand 0.53

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
FYN P06241 1/20 0.49
KDR P35968 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ROCK1 Q13464 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
METAP2 P50579 1/20 0.43
MCHR1 Q99705 1/20 0.43
LSS P48449 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL5863289 0.98 FYN (0.50) FYNKDRSIGMAR1ROCK2CYP3A4
Oxalic Acid SCHEMBL5863223 0.97 KDR (0.47) FYNKDRSIGMAR1ROCK2CYP3A4
Oxalic Acid SCHEMBL5863295 0.95 FYN (0.47) FYNKDRROCK2CYP3A4CYP2D6
Oxalic Acid SCHEMBL5863234 0.94 SIGMAR1 (0.49) FYNKDRSIGMAR1ROCK2CYP3A4
SCHEMBL5863110 0.93 FYN (0.48) FYNKDRROCK2CYP3A4CYP2D6
Oxalic Acid SCHEMBL5863123 0.91 CYP3A4 (0.51) FYNSIGMAR1ROCK2CYP3A4CYP2D6
Oxalic Acid SCHEMBL5863058 0.89 ROCK2 (0.48) FYNROCK2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5863069 0.89 ROCK2 (0.49) FYNSIGMAR1ROCK2CYP3A4CYP2D6
Oxalic Acid SCHEMBL5863422 0.89 CYP3A4 (0.51) FYNROCK2CYP3A4CYP2D6CYP2C9
Oxalic Acid SCHEMBL5863262 0.87 FYN (0.46) FYNKDRSIGMAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R FYN 3249/4885KDR 2060/4885SIGMAR1 87/4885

“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.