SCHEMBL381648

SCHEMBL381648

CC(=O)Oc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43.[NaH].[NaH].[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
BLM P54132 4/20 0.38
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
APEX1 P27695 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
BRCA1 P38398 2/20 0.38
SLC10A1 Q14973 1/20 0.38
TSHR P16473 4/20 0.36

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
SCHEMBL29948312 0.98 HTT (0.40) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL168580 0.98 HTT (0.40) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL381650 0.97 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL15522479 0.97 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL592737 0.97 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL9614018 0.91 MAPT (0.37) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL19939980 0.91 HTT (0.35) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL9614427 0.88 MAPT (0.37) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL17733109 0.87 KMT2A (0.43) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL218851 0.84 HTT (0.39) HTTKDM4EALDH1A1KMT2AMAPT

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11150358-B2 Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry RIKEN (JP) 2021-10-19 US disclosed
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 US disclosed
WO-2021123851-A1 A REAL-TIME, ADD-AND-READ FLUORESCENCE-BASED ASSAY FOR TESTING FUNCTION AND DRUG INTERACTIONS OF OATP TRANSPORTERS CELLPHARMA KFT (HU) 2021-06-24 WO disclosed
US-20200333474-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY RIKEN (JP) 2020-10-22 US disclosed
EP-3686632-A1 RADIATION DOSIMETRY SOL OR GEL AND RADIATION DOSIMETER COMPRISING SAME AS MATERIAL FOR RADIATION DOSIMETRY Riken (JP) 2020-07-29 EP disclosed
US-9850383-B2 Uncharged pyrenyloxy sulfonamide dyes for conjugation with biomolecules GENE TOOLS, LLC (US) 2017-12-26 US disclosed
US-20170210904-A1 Uncharged pyrenyloxy sulfonamide dyes for conjugation with biomolecules GENE TOOLS, LLC 2017-07-27 US disclosed
WO-2017095806-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-08 WO disclosed
US-20170023681-A1 PERSONAL AND SELF INDICATING RADIATION ALERT DOSIMETER NEW YORK UNIVERSITY 2017-01-26 US disclosed
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 US disclosed
US-20040209317-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-10-21 US disclosed
WO-2004077097-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES INC. (US) 2004-09-10 WO disclosed
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-02-12 US disclosed
US-6653141-B2 In vitro detection of polyhydroxyl-substituted organic molecules; obtain sample, incubate in fluorescent dye exposure to excitation light detect and measure signal THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-11-25 US disclosed
US-6627177-B2 Obtaining flurorophore dye which is compatible with the analyte solution; combining withboronic acid-containing quencher molecule; contacting with excitation light source coupled with a detector; producing signal; quantification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-30 US disclosed
EP-1340076-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS The Regents of the University of California (US) 2003-09-03 EP disclosed
WO-2002046752-A9 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS UNIV CALIFORNIA (US) 2002-08-29 WO disclosed
US-20020106326-A1 Polyhydroxyl-substituted organic molecule sensing optical in vivo method utilizing a boronic acid adduct and the device thereof CALIFORNIA, UNIVERSITY OF THE REGENTS OF THE 2002-08-08 US disclosed
US-20020106810-A1 Polyhydroxyl-substituted organic molecule sensing optical in vitro method utilizing a boronic acid adduct and the device thereof REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-08-08 US disclosed
WO-2002046752-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-13 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 (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-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, BLVRB, FOSB HTT 2091/4885KDM4E 2992/4885ALDH1A1 959/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 HTT 2816/4885KDM4E 2077/4885ALDH1A1 1130/4885

“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.