Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Sulfuric 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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.86 |
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | STS | P08842 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | PTPRB | P23467 | 1/20 | 0.49 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL184868 | 0.93 | LOXL2 (1.00) | LOXL2CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL210547 | 0.91 | LOXL2 (0.96) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL6677665 | 0.87 | LOXL2 (0.89) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL28267713 | 0.84 | LOXL2 (0.83) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL12636516 | 0.84 | LOXL2 (0.83) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL7251467 | 0.84 | LOXL2 (0.83) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL21914682 | 0.84 | LOXL2 (0.65) | LOXL2CA1CA2CA12CA9 | |
| Sulfuric Acid SCHEMBL8295634 | 0.83 | LOXL2 (0.59) | LOXL2CA1CA2CA12CA9 | |
| SCHEMBL28117998 | 0.83 | LOXL2 (0.80) | LOXL2CA1CA2MAPTCYP4A11 | |
| Hydrochloric Acid SCHEMBL15239627 | 0.81 | LOXL2 (0.77) | LOXL2MAPTCYP4A11HPGDCYP4F2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008062-B2 | Production of (R)- and (S)-4-(1-aminoethyl) benzoic acid methyl ester sulfate by lipase acylation of racemic 4-(1-aminoethyl) benzoic acid methyl ester and sulfuric acid precipitation | BASF SE (DE) | 2011-08-30 | — | — | US | claimed |
| CN-101321875-B | Method for preparing -and (S) -methyl 4- (1-ammonioethyl) benzoate sulfate from racemic methyl 4- (1-aminoethyl) benzoate by lipase-catalyzed enantioselective acylation and subsequent precipitation with sulfuric acid | BASF AG | 2012-12-12 | — | — | CN | disclosed |
| EP-1969129-B1 | PROCESS FOR THE PREPARATION OF (R)- AND (S)-4-(1-AMINOMETHYL) BENZOIC ACID METHYLESTER-SULPHATE FROM RACEMIC 4-(1-AMINOETHYL)BENZOIC ACID METHYLESTER | BASF SE (DE) | 2009-03-11 | — | — | EP | disclosed |
| US-20080305530-A1 | Method for Producing (R)-and (S)-4-(1-Ammoniumethyl)Benzoic Acid Methylester-Sulphate from Racemic 4-(1-Aminoethyl)Benzoic Acid Methylester by Lipase Catalysed Enantoselective Acylation and Subsequent Precipitation with Sulphuric Acid | BASF SE (DE) | 2008-12-11 | — | — | US | disclosed |
| CN-101321875-A | Method for preparing -and (S) -methyl 4- (1-ammonioethyl) benzoate sulfate from racemic methyl 4- (1-aminoethyl) benzoate by lipase-catalyzed enantioselective acylation and subsequent precipitation with sulfuric acid | BASF AG (DE) | 2008-12-10 | — | — | CN | disclosed |
| EP-1969129-A1 | METHOD FOR PRODUCING (R) - AND (S)-4-(1-AMMONIUMETHYL)BENZOIC ACID METHYLESTER-SULPHATE FROM RACEMIC 4-(1-AMINOETHYL)BENZOIC ACID METHYLESTER BY LIPASE CATALYSED ENANTOSELECTIVE ACYLATION AND SUBSEQUENT PRECIPITATION WITH SULPHURIC ACID | BASF SE (DE) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077120-A1 | METHOD FOR PRODUCING (R) - AND (S)-4-(1-AMMONIUMETHYL)BENZOIC ACID METHYLESTER-SULPHATE FROM RACEMIC 4-(1-AMINOETHYL)BENZOIC ACID METHYLESTER BY LIPASE CATALYSED ENANTOSELECTIVE ACYLATION AND SUBSEQUENT PRECIPITATION WITH SULPHURIC ACID | BASF SE (DE) | 2007-07-12 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080305530-A1 | Method for Producing (R)-and (S)-4-(1-Ammoniumethyl)Benzoic Acid Methylester-Sulphate from Racemic 4-(1-Aminoethyl)Benzoic Acid Methylester by Lipase Catalysed Enantoselective Acylation and Subsequent Precipitation with Sulphuric Acid | ARSA, APEH, STS | LOXL2 1106/4885CA1 1615/4885CA2 1684/4885 |
“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.