SCHEMBL381650

SCHEMBL381650

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 3/20 0.38
BLM P54132 3/20 0.38
CYP3A4 P08684 3/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
BRCA1 P38398 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.38

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) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL168580 0.98 HTT (0.40) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL381648 0.97 HTT (0.39) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL15522479 0.94 HTT (0.39) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL592737 0.94 HTT (0.39) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL19939980 0.91 HTT (0.35) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL9614018 0.91 MAPT (0.37) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL9614427 0.88 MAPT (0.37) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL17733109 0.87 KMT2A (0.43) HTTKMT2AKDM4EMAPTALDH1A1
SCHEMBL218851 0.84 HTT (0.39) HTTKMT2AKDM4EMAPTALDH1A1

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 36 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
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-9086489-B2 Personal and area self-indicating instant radiation alert dosimeter JP LABORATORIES, INC (US) 2015-07-21 US disclosed
US-7227158-B1 Stick-on self-indicating instant radiation dosimeter JP LABS, INC. (US) 2007-06-05 US disclosed
WO-2007041689-A2 METHODS OF SITE-SPECIFIC LABELING OF MOLECULES AND MOLECULES PRODUCED THEREBY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-04-12 WO disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-20060145091-A1 Self indicating radiation alert dosimeter JP LABORATORIES INC. 2006-07-06 US disclosed
EP-1599744-A2 SELF-INDICATING RADIATION ALERT DOSIMETER JP LABORATORIES, INC. (US) 2005-11-30 EP disclosed
US-20050233389-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-20 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-6487326-B1 Thin film fiber optic electrode sensor array and apparatus BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-11-26 US disclosed
WO-2001038853-A2 THIN FILM FIBER OPTIC ELECTRODE SENSOR ARRAY AND APPARATUS BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-05-31 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-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL HTT 1661/4885KMT2A 3151/4885KDM4E 3349/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 HTT 2816/4885KMT2A 914/4885KDM4E 2077/4885

“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.