Sulfuric Acid

Sulfuric Acid

SCHEMBL17673107

O=S(=O)(O)O.OCCN1CCOCC1

nearest known ligand 0.72

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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 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 2/20 0.72
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
KEAP1 Q14145 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PAOX Q6QHF9 1/20 0.40
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL4820784 0.89
SCHEMBL25262333 0.89 KDM4E (0.90) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL13758294 0.89 KDM4E (0.90) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL11300 0.89
SCHEMBL1253282 0.87 KDM4E (0.66) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL555454 0.87 KDM4E (0.66) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL11200585 0.86 KDM4E (0.95) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL16604261 0.86 KDM4E (0.95) KDM4EALDH1A1GLASMN1; SMN2KEAP1
Iodide SCHEMBL14778132 0.86 KDM4E (0.86) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL12958952 0.86 KDM4E (0.95) KDM4EALDH1A1GLASMN1; SMN2KEAP1

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
CN-117603162-A Method for esterification of tertiary amine alcohol hydrogen sulfate 浙江大学 2024-02-27 CN claimed
EP-3203839-A1 ALKANOLAMINE SULFATE WATER CONDITIONERS Huntsman Petrochemical LLC (US) 2017-08-16 EP claimed
US-20170202215-A1 Alkanolamine Sulfate Water Conditioners HUNTSMAN PETROCHEMICAL LLC (US) 2017-07-20 US claimed
WO-2016057170-A1 ALKANOLAMINE SULFATE WATER CONDITIONERS HUNTSMAN PETROCHEMICAL LLC (US) 2016-04-14 WO claimed
CN-117603162-A Method for esterification of tertiary amine alcohol hydrogen sulfate 浙江大学 2024-02-27 CN disclosed
CN-117603162-A Method for esterification of tertiary amine alcohol hydrogen sulfate 浙江大学 2024-02-27 CN 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-20170202215-A1 Alkanolamine Sulfate Water Conditioners SRM, SGMS1, SGMS2 KDM4E 1643/4885ALDH1A1 387/4885GLA 2817/4885

“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.