SCHEMBL2329207

SCHEMBL2329207

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17260197 0.96 KEAP1 (0.38) KEAP1NFE2L2SMN1; SMN2HDAC3MAPK1
SCHEMBL17260199 0.96 KEAP1 (0.38) KEAP1NFE2L2SMN1; SMN2HDAC3MAPK1
SCHEMBL2331007 0.88 KEAP1 (0.43) KEAP1NFE2L2MAPTLMNAMEN1
SCHEMBL14400927 0.86 HSD17B10 (0.39) KEAP1NFE2L2CA12CA1CA2
SCHEMBL13223614 0.86 KEAP1 (0.41) KEAP1NFE2L2MAPK1MAPTALDH1A1
SCHEMBL13765604 0.85 KEAP1 (0.34) KEAP1NFE2L2ALOX5
SCHEMBL9350381 0.85 KEAP1 (0.43) KEAP1NFE2L2MAPTALDH1A1LMNA
SCHEMBL9348982 0.84 KEAP1 (0.41) KEAP1NFE2L2MAPTALDH1A1LMNA
SCHEMBL17260194 0.83 KEAP1 (0.32) KEAP1NFE2L2MAPTALDH1A1
SCHEMBL17260198 0.83 KEAP1 (0.32) KEAP1NFE2L2MAPTALDH1A1

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 8 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-20150330986-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME ABBOTT LAB (US) 2015-11-19 US disclosed
EP-2356458-A1 ISOLATED HUMAN AUTOANTIBODIES TO NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (NGAL) AND METHODS AND KITS FOR THE DETECTION OF HUMAN AUTOANTIBODIES TO NGAL Abbott Laboratories (US) 2011-08-17 EP disclosed
WO-2010048354-A1 ISOLATED HUMAN AUTOANTIBODIES TO NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (NGAL) AND METHODS AND KITS FOR THE DETECTION OF HUMAN AUTOANTIBODIES TO NGAL ABBOTT LABORATORIES (US) 2010-04-29 WO disclosed
US-20100105150-A1 ISOLATED HUMAN AUTOANTIBODIES TO NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (NGAL) AND METHODS AND KITS FOR THE DETECTION OF HUMAN AUTOANTIBODIES TO NGAL ABBOTT LABORATORIES (US) 2010-04-29 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 (3 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 885/4885SMN1; SMN2 3272/4885
US-20170336416-A1 COMPOSITIONS FOR ENHANCING CHEMILUMINESCENCE AND METHODS OF USING THE SAME APOB, MPO, LPO KEAP1 1733/4885NFE2L2 885/4885SMN1; SMN2 3272/4885
US-20100105150-A1 ISOLATED HUMAN AUTOANTIBODIES TO NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (NGAL) AND METHODS AND KITS FOR THE DETECTION OF HUMAN AUTOANTIBODIES TO NGAL SSB, SERPINB1, LGALS3BP KEAP1 1804/4885NFE2L2 2248/4885SMN1; SMN2 3607/4885

“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.