SCHEMBL13765604

SCHEMBL13765604

O=C(CCCc1ccc(S(=O)(=O)N(CCCS(=O)(=O)O)C(=O)c2c3ccccc3[n+](CCCS(=O)(=O)O)c3ccccc23)cc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 1/20 0.34
ALOX5 P09917 1/20 0.30

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
SCHEMBL17260198 0.97 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL17260194 0.97 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL13926067 0.91
SCHEMBL18118867 0.90 LMNA (0.34) KEAP1NFE2L2
SCHEMBL13926065 0.89 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL2329207 0.85 KEAP1 (0.40) KEAP1NFE2L2ALOX5
SCHEMBL18114355 0.84 ALDH1A1 (0.36) KEAP1NFE2L2
SCHEMBL18118857 0.83 RAB9A (0.36)
SCHEMBL17260199 0.82 KEAP1 (0.38) KEAP1NFE2L2
SCHEMBL17260197 0.82 KEAP1 (0.38) KEAP1NFE2L2

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-20170336416-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LABORATORIES 2017-11-23 US claimed
US-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LAB (US) 2015-11-19 US claimed
US-20170336416-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LABORATORIES 2017-11-23 US disclosed
US-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LAB (US) 2015-11-19 US disclosed
US-20090181359-A1 METHOD OF PERFORMING ULTRA-SENSITIVE IMMUNOASSAYS ABBOTT LABORATORIES 2009-07-16 US disclosed
US-20090053736-A1 Homogeneous Chemiluminescent Immunoassay for Analysis of Iron Metalloproteins ABBOTT LABORATORIES 2009-02-26 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 (2 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-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME APOB, MPO, LPO KEAP1 1733/4885NFE2L2 885/4885ALOX5 177/4885
US-20170336416-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME APOB, MPO, LPO KEAP1 1733/4885NFE2L2 885/4885ALOX5 177/4885

“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.