Oxalic Acid

Oxalic Acid

SCHEMBL1242817

CCN(CC)CCCNS(=O)(=O)c1ccc2c(c1)CN(Cc1ccccc1)CC2.O=C(O)C(=O)O

nearest known ligand 0.59

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTR7 P34969 8/20 0.47
BCL2 P10415 2/20 0.46
MCL1 Q07820 1/20 0.46
BAD Q92934 1/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
USP2 O75604 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
SCHEMBL1242833 0.96 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL1243397 0.84 HTR7 (0.43) ALDH1A1TSHRSMN1; SMN2HTR7KDM4E
SCHEMBL1243531 0.82 MLNR (0.50) ALDH1A1TSHRLMNAHTR7KMT2A
SCHEMBL1242819 0.82 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL1244033 0.81 USP2 (0.52) ALDH1A1TSHRLMNAHTR7KMT2A
SCHEMBL1243667 0.81 HTR7 (0.46) ALDH1A1LMNAMAPK1HTR7KDM4E
SCHEMBL1243510 0.78 HRH3 (0.46) ALDH1A1LMNAHTR7KDM4EGAA
SCHEMBL1244022 0.77 USP2 (0.48) ALDH1A1SMN1; SMN2LMNAHTR7KMT2A
SCHEMBL5629084 0.76 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL1242876 0.74 MLNR (0.46) ALDH1A1TSHRLMNAMAPK1HTR7

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
US-8524700-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2013-09-03 US disclosed
US-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI (FR) 2012-12-20 US disclosed
US-8273733-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI (FR) 2012-09-25 US disclosed
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-02-03 US disclosed
US-7833999-B2 Tetrahydroisoquinoline sulfonamide derivatives, the preparation thereof, and the use of the same in therapeutics SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 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 (3 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-20120323003-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 ALDH1A1 910/4885TSHR 1961/4885SMN1; SMN2 45/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 ALDH1A1 697/4885TSHR 2053/4885SMN1; SMN2 35/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 ALDH1A1 910/4885TSHR 1961/4885SMN1; SMN2 45/4885

“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.