Sulfuric Acid

Sulfuric Acid

SCHEMBL4028712

COC(=N)N(C)C.O=S(=O)(O)O

nearest known ligand 0.35

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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 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4198326 0.86
Iodide SCHEMBL7429675 0.83
Sulfuric Acid SCHEMBL10950870 0.71 KDM4E (0.41) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL1025495 0.69 KDM4E (0.52) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL275165 0.69 KDM4E (0.52) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL724776 0.69 KDM4E (0.52) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL28052558 0.69 KDM4E (0.52) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL601039 0.69 KDM4E (0.52) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL28112039 0.69 KDM4E (0.39) KDM4ECYP2D6CYP2C19BLMNPSR1
Sulfuric Acid SCHEMBL27561650 0.67 KDM4E (0.50) KDM4ECYP2D6CYP2C19BLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170839-A2 TREATMENT OF NEUROINFLAMMATORY DISEASE WITH SELECTIVE COX1 INHIBITORS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
EP-1442026-B9 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-11-18 EP disclosed
EP-1442026-B1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 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 (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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 KDM4E 3034/4885CYP2D6 361/4885CYP2C19 82/4885

“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.