Sulfuric Acid

Sulfuric Acid

SCHEMBL4014396

CCC(C)C(C[Na])NS(=O)(=O)c1ccc(Cl)cc1.O=S(=O)(O)O

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
MMP2 P08253 4/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP7 P09237 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
S1PR1 P21453 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 SCHEMBL4014399 1.00 CA2 (0.53) CA2CA1MMP2MMP1MMP3
SCHEMBL3177359 0.86 CA2 (0.56) CA2CA1MMP2MMP1MMP3
SCHEMBL13335267 0.86 CA2 (0.56) CA2CA1MMP2MMP1MMP3
SCHEMBL3198456 0.86 CA2 (0.56) CA2CA1MMP2MMP1MMP3
SCHEMBL3192819 0.83 CA2 (0.53) CA2CA1MMP2MMP1MMP3
SCHEMBL4314694 0.83 CA2 (0.50) CA2CA1MMP2MMP1MMP3
SCHEMBL4314704 0.83 CA2 (0.50) CA2CA1MMP2MMP1MMP3
Sulfuric Acid SCHEMBL4012625 0.80 PSEN1 (0.45) CA2CA1MMP2MMP1MMP3
Sulfuric Acid SCHEMBL4012621 0.80 PSEN1 (0.45) CA2CA1MMP2MMP1MMP3
Sulfuric Acid SCHEMBL4014242 0.77 PSEN1 (0.52) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181932-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS WYETH (US) 2009-07-16 US claimed
WO-2009089237-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS BETA-AMYLOID INHIBITORS WYETH (US) 2009-07-16 WO claimed

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-20090181932-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS SCN3A, HCN3, KCNN3 CA2 39/4885CA1 106/4885MMP2 3346/4885

“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.