Sulfuric Acid

Sulfuric Acid

SCHEMBL5360109

O=S(=O)(O)O.O=c1ccc(-n2cc(-c3ccnc(NCC(F)(F)F)c3)c(-c3ccc(F)cc3)n2)n[nH]1

nearest known ligand 0.39

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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 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.39
MAPK8 P45983 4/20 0.39
MAPK9 P45984 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
FLT4 P35916 1/20 0.38
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
BRAF P15056 3/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35
KCNH2 Q12809 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL5357349 0.96 MAPK10 (0.40) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5348254 0.85 MAPK14 (0.45) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5354307 0.85 MAPK10 (0.36) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5349463 0.82 CSNK1D (0.43) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5354618 0.81 MAPK14 (0.47) MAPK10CSNK1DMAPK13MAPK12MAPK11
SCHEMBL5356732 0.80 MAPK10 (0.42) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5352675 0.79 MAPK14 (0.52) MAPK10MAPK8MAPK14
SCHEMBL5354079 0.78 MAPK10 (0.38) MAPK10MAPK8MAPK9CYP3A4CYP2D6
SCHEMBL5356236 0.78 BRAF (0.40) MAPK10CSNK1DCSNK1EBRAFSRC
SCHEMBL5355710 0.76 MAPK10 (0.37) MAPK10MAPK8MAPK9CYP3A4CYP2D6

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
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 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-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 MAPK10 51/4885MAPK8 18/4885MAPK9 5/4885

“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.