Sulfuric Acid

Sulfuric Acid

SCHEMBL5583133

O=C(c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.O=S(=O)(O)O

nearest known ligand 0.46

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
PKLR known ✓ P30613 1/20 0.46
ACACB O00763 3/20 0.43
ACACA Q13085 3/20 0.43
MAPK10 P53779 3/20 0.43
RIPK1 Q13546 3/20 0.43
KDR P35968 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5583184 0.97 PKLR (0.46) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5582988 0.97 ACACB (0.45) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5583138 0.89 ACACB (0.51) ACACBACACAMAPK10RIPK1KDR
SCHEMBL5583185 0.87 ACACB (0.41) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5583281 0.87 MAPK10 (0.48) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5583124 0.87 MAPK10 (0.48) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5583232 0.86 MAPK10 (0.53) ACACBACACAMAPK10RIPK1KDR
SCHEMBL5583189 0.85 PKLR (0.46) PKLRACACBACACAMAPK10RIPK1
SCHEMBL5582979 0.84 MAPK10 (0.46) ACACBACACAMAPK10RIPK1KDR
SCHEMBL5583154 0.84 MAPK10 (0.51) PKLRMAPK10RIPK1KDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 PKLR 1931/4885ACACB 4317/4885ACACA 4327/4885

“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.