SCHEMBL12373370

SCHEMBL12373370

N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CA2 P00918 4/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 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
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
CYP2D6 P10635 1/20 0.33
MMP1 P03956 2/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
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
SCHEMBL27745045 0.98 THRB (0.37) THRBCA2ALDH1A1KMT2AHTT
SCHEMBL13292118 0.83 THRB (0.38) THRBCA2ALDH1A1KMT2AHTT
SCHEMBL8818862 0.81 CA2 (0.39) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL12589933 0.81 THRB (0.41) THRBCA2ALDH1A1KMT2AHTT
SCHEMBL14271158 0.81 THRB (0.41) THRBCA2ALDH1A1KMT2AHTT
SCHEMBL10617469 0.81 POLB (0.57) THRBALDH1A1KMT2AMEN1MAPT
SCHEMBL8815799 0.81 MAPT (0.40) THRBCA2ALDH1A1KMT2AHTT
SCHEMBL10700258 0.80 LMNA (0.45) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL10787889 0.80 MMP2 (0.47) CA2ALDH1A1KMT2AHTTLMNA
SCHEMBL8761183 0.80 CA2 (0.50) THRBCA2ALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9733212-B2 Sharply resolving labeled protein molecular weight standards Life Technologies Corporation (US) 2017-08-15 US disclosed
US-8729053-B2 Nuclear factor kappa B pathway inhibitor composition and use of same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-05-20 US disclosed
US-20130207044-A1 Sharply Resolving Labeled Protein Molecular Weight Standards Life Technologies Corporation (US) 2013-08-15 US disclosed
WO-2013008201-A2 NOVEL REACTIVE DYES, THERE MIXTURES AND PROCESSES THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-01-17 WO disclosed
US-20110190240-A1 NUCLEAR FACTOR KAPPA B PATHWAY INHIBITOR COMPOSITION AND USE OF SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2011-08-04 US disclosed
WO-2010033958-A1 NUCLEAR FACTOR KAPPA B PATHWAY INHIBITOR COMPOSITION AND USE OF SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-03-25 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-20110190240-A1 NUCLEAR FACTOR KAPPA B PATHWAY INHIBITOR COMPOSITION AND USE OF SAME RELA, IKBKB, NFKBIA THRB 2871/4885CA2 336/4885ALDH1A1 1843/4885

“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.