Oxalic Acid

Oxalic Acid

SCHEMBL1241171

CN1CCCC1CCNS(=O)(=O)c1ccc2c(c1)CN(CC1CCCCC1)CC2.O=C(O)C(=O)O

nearest known ligand 0.44

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 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR7 P34969 6/20 0.41
METAP2 P50579 2/20 0.39
MOGAT2 Q3SYC2 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1241268 0.96 HRH3 (0.46) HRH3TSHRALDH1A1HTR7MOGAT2
SCHEMBL2400927 0.96 HRH3 (0.46) HRH3TSHRALDH1A1HTR7MOGAT2
Water SCHEMBL16161850 0.96 HRH3 (0.46) HRH3TSHRALDH1A1HTR7MOGAT2
Fumaric Acid SCHEMBL9898674 0.95 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL9898673 0.95 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL27987046 0.94 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL9898162 0.94 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL2435682 0.94 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
Fumaric Acid SCHEMBL2435679 0.94 TSHR (0.41) HRH3TSHRALDH1A1HTR7METAP2
SCHEMBL5630601 0.93 HTR7 (0.45) HRH3TSHRALDH1A1HTR7TP53

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 HRH3 104/4885TSHR 1961/4885ALDH1A1 910/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 HRH3 128/4885TSHR 2053/4885ALDH1A1 697/4885
US-20110028475-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, HTR2B, KCNQ2 HRH3 104/4885TSHR 1961/4885ALDH1A1 910/4885

“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.