SCHEMBL18034192

SCHEMBL18034192

N#[N+]c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MMP1 P03956 3/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ LOX P28300 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
Water SCHEMBL7042206 0.98 CA2 (0.35) CA2ALDH1A1HTTKMT2ALMNA
SCHEMBL8507597 0.87 THRB (0.38) CA2ALDH1A1HTTKMT2ALMNA
SCHEMBL19844941 0.85 ALDH1A1 (0.37) CA2ALDH1A1HTTKMT2ALMNA
SCHEMBL10787889 0.80 MMP2 (0.47) CA2ALDH1A1HTTKMT2ALMNA
SCHEMBL10700258 0.80 LMNA (0.45) CA2ALDH1A1HTTKMT2ALMNA
Hydrochloric Acid SCHEMBL7923399 0.80 CA2 (0.33) CA2ALDH1A1HTTKMT2ALMNA
SCHEMBL19844934 0.79 LMNA (0.36) CA2LMNAMMP1
SCHEMBL19851311 0.78 — —
SCHEMBL2685459 0.77 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL8818862 0.77 CA2 (0.39) CA2ALDH1A1HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058483-A1 PLANT FIBER BIOCOMPOSITES NUTECH VENTURES 2023-02-23 — — US disclosed
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 — — US disclosed
WO-2016134162-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES NUTECH VENTURES (US) 2016-08-25 — — WO 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-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR CA2 4569/4885ALDH1A1 247/4885HTT 4003/4885

“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.

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