Sulfuric Acid

Sulfuric Acid

SCHEMBL18173573

CC(C)[C@H]1c2nc[nH]c2CCN1C(=O)O.O=S(=O)(O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

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 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.60
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Sulfuric Acid SCHEMBL18173563 0.99 AOC3 (0.59) AOC3RAB9A
SCHEMBL18173571 0.96 AOC3 (0.59) AOC3RAB9A
SCHEMBL12094922 0.95 AOC3 (0.65) AOC3RAB9AKDM4EALDH1A1GAA
SCHEMBL1973686 0.95 AOC3 (0.65) AOC3RAB9AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL18173566 0.94 AOC3 (0.64) AOC3RAB9AKDM4EALDH1A1GAA
SCHEMBL18953107 0.82 AOC3 (0.62) AOC3ALDH1A1
SCHEMBL11516578 0.81 AOC3 (0.58) AOC3RAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL28571413 0.78 AOC3 (0.67) AOC3
Sulfuric Acid SCHEMBL28571415 0.78 AOC3 (0.67) AOC3
SCHEMBL1976869 0.78 AOC3 (0.64) AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286190-B1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) BENEVOLENTAI CAMBRIDGE LTD (GB) 2020-06-03 EP claimed
EP-3286190-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) Proximagen Limited (GB) 2018-02-28 EP claimed
WO-2016170351-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) PROXIMAGEN LIMITED (GB) 2016-10-27 WO claimed
EP-3286190-B1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) BENEVOLENTAI CAMBRIDGE LTD (GB) 2020-06-03 EP disclosed
EP-3386494-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-10-17 EP disclosed
EP-3286190-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) Proximagen Limited (GB) 2018-02-28 EP disclosed
EP-3285767-A1 TREATMENT OF PAIN Proximagen Limited (GB) 2018-02-28 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
WO-2016170353-A1 TREATMENT OF PAIN PROXIMAGEN LIMITED (GB) 2016-10-27 WO disclosed
WO-2016170351-A1 PHARMACEUTICAL SALT FORMS OF AN INHIBITOR OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) PROXIMAGEN LIMITED (GB) 2016-10-27 WO disclosed