Sulfuric Acid

Sulfuric Acid

SCHEMBL1716752

CC[n+]1ccccc1C(C)=O.O=S(=O)([O-])O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSIP1 O75475 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
BCAT1 P54687 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
STAT3 P40763 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 SCHEMBL2183752 0.94 CYP2D6 (0.36) CYP2D6CYP2C19HSD11B1L3MBTL1PSIP1
SCHEMBL1724143 0.90 CYP2D6 (0.41) CYP2D6CYP2C19HSD11B1KDM4EMAPT
SCHEMBL290496 0.89 HSD11B1 (0.37) CYP2D6CYP2C19HSD11B1L3MBTL1PSIP1
Acetic Acid SCHEMBL1712859 0.88 CYP2D6 (0.38) CYP2D6CYP2C19KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL1712716 0.88 CYP2D6 (0.40) CYP2D6CYP2C19KDM4EMAPTKMT2A
Bromide SCHEMBL1712146 0.88 CYP2D6 (0.40) CYP2D6CYP2C19KDM4EMAPTKMT2A
Sulfuric Acid SCHEMBL291858 0.86 CYP2D6 (0.35) CYP2D6CYP2C19ACHEKDM4EMAPT
SCHEMBL1712432 0.86 KDM4E (0.40) CYP2D6HSD11B1KDM4EMAPTKMT2A
Sulfuric Acid SCHEMBL1030156 0.84 CYP2D6 (0.34) CYP2D6CYP2C19ACHEKDM4ESMN1; SMN2
Sulfuric Acid SCHEMBL291364 0.83 CYP2D6 (0.56) CYP2D6CYP2C19L3MBTL1ACHEKDM4E

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2320854-B1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO KGAA (DE) 2012-01-18 EP disclosed
US-8034122-B2 Bleaching agent comprising 2-acylpyridinium derivatives HENKEL AG & CO. KGAA (DE) 2011-10-11 US disclosed
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2011-07-07 US disclosed
EP-2320854-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-05-18 EP disclosed
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES KRT18, CBR3, ACOX3 CYP2D6 758/4885CYP2C19 1434/4885HSD11B1 2678/4885

“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.