Sulfuric Acid

Sulfuric Acid

SCHEMBL3012573

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.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 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA2 P00918 2/20 0.32
EPHX1 P07099 1/20 0.32
CA9 Q16790 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
SCHEMBL3002930 0.90 TSHR (0.40) CA1CA12CA7CA14CES2
SCHEMBL3007271 0.90 CA1 (0.37) CA1CA12CA7CA14CA2
Trifluoromethanesulfonic Acid SCHEMBL2998736 0.84 ALDH1A1 (0.30)
SCHEMBL12760528 0.84 LMNA (0.41)
Trifluoromethanesulfonic Acid SCHEMBL27507751 0.82
SCHEMBL5511391 0.82 ALDH1A1 (0.33) CES2CES1
SCHEMBL14675991 0.82 ALDH1A1 (0.33) CES2CES1
SCHEMBL301767 0.82 ALDH1A1 (0.33) CES2CES1
SCHEMBL9634079 0.82 ALDH1A1 (0.33) CES2CES1
SCHEMBL3175920 0.82 ALDH1A1 (0.33) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501985-B2 Use of phosphonium salts in coupling reactions and process for their manufacture DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2013-08-06 US disclosed
US-20100197969-A1 USE OF PHOSPHONIUM SALTS IN COUPLING REACTIONS AND PROCESS FOR THEIR MANUFACTURE DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2010-08-05 US disclosed
WO-2009013628-A2 USE OF PHOSPHONIUM SALTS IN COUPLING REACTIONS AND PROCESS FOR THEIR MANUFACTURE DYNAMIT NOBEL GMBH EXPLOSIVSTOFF-UND SYSTEMTECHNIK (DE) 2009-01-29 WO disclosed
EP-2019107-A1 Use of phosphonium salts in coupling reactions and process for their manufacture Dynamit Nobel GmbH Explosivstoff- und Systemtechnik (DE) 2009-01-28 EP 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-20100197969-A1 USE OF PHOSPHONIUM SALTS IN COUPLING REACTIONS AND PROCESS FOR THEIR MANUFACTURE PPIP5K2, PHOSPHO1, PNKP CA1 1158/4885CA12 1645/4885CA7 734/4885

“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.