Sulfuric Acid

Sulfuric Acid

SCHEMBL6834053

N#Cc1ccc(NC(=O)c2noc3cc(-c4ccc([N+](=O)[O-])cc4C(F)(F)F)c([N+](=O)[O-])cc23)c(C(=O)O)c1.O=S(=O)(O)O

nearest known ligand 0.38

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
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38
ALB P02768 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
PYGL P06737 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RORC P51449 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ERO1A Q96HE7 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL6833135 0.97 KCNK2 (0.40) KCNK2KCNK10ALBLMNACYP1A2
Sulfuric Acid SCHEMBL6819163 0.90 AKR1C2 (0.44) KCNK2KCNK10ALBLMNACYP1A2
Sulfuric Acid SCHEMBL6818475 0.89 KCNK2 (0.37) KCNK2KCNK10ALBLMNAAKR1C2
SCHEMBL6820255 0.86 KCNK2 (0.39) KCNK2KCNK10ALBLMNAAKR1C2
SCHEMBL6709076 0.83 LMNA (0.35) LMNACYP1A2HIF1AMEN1KMT2A
SCHEMBL6709124 0.82 LMNA (0.35) LMNACYP1A2HIF1AMEN1KMT2A
SCHEMBL6833928 0.82 HIF1A (0.47) KCNK2KCNK10ALBLMNACYP1A2
SCHEMBL6818535 0.80 KMT2A (0.39) ALBHIF1AMEN1KMT2AMAPT
Sulfuric Acid SCHEMBL6833366 0.77 EPHX2 (0.41) ALBHIF1AMEN1KMT2AMAPT
SCHEMBL6818889 0.77 EGLN2 (0.34) ALBRORCMAPT

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KCNK2 3090/4885KCNK10 3434/4885ALB 1417/4885

“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.