SCHEMBL8313428

SCHEMBL8313428

NC(=O)C(S)C(S)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
MAPT P10636 2/20 0.69
LMNA P02545 2/20 0.69
ABCB11 O95342 1/20 0.69
F2 P00734 1/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALOX15 P16050 1/20 0.69
KMT2A Q03164 1/20 0.69
DUSP3 P51452 1/20 0.69
PTPN5 P54829 1/20 0.69
PTPN11 Q06124 1/20 0.69
CYP2C9 P11712 1/20 0.69
HIF1A Q16665 1/20 0.69
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.35
PTGS1 P23219 2/20 0.33

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
SCHEMBL3644449 0.87 TDP1 (0.44) ALDH1A1HPGDHSD17B10TDP1MAPT
SCHEMBL5471931 0.87 TDP1 (0.44) ALDH1A1HPGDHSD17B10TDP1MAPT
SCHEMBL2988562 0.83 TDP1 (0.41) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL14942 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL14941 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL17472961 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL28566852 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL28577215 0.83 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL23522179 0.79 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TDP1MAPT
Succimer SCHEMBL2771039 0.79 ALDH1A1 (0.92) ALDH1A1HPGDHSD17B10TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649988-A Tris(mercaptosuccinic acid amide)-s-triazine and preparation method thereof LIU XIANMEI 2015-05-27 CN claimed
WO-1989006701-A1 THIOL-REACTIVE OLIGONUCLEOTIDE INTERMEDIATES AND PROCESSES FOR CONJUGATION OF OLIGONUCLEOTIDES WITH ENZYMES MICROPROBE CORPORATION (US) 1989-07-27 WO claimed
CN-104649988-A Tris(mercaptosuccinic acid amide)-s-triazine and preparation method thereof LIU XIANMEI 2015-05-27 CN disclosed
US-7731936-B2 Metal complexes based on tetrathiol ligands and their use in nuclear medical diagnostics and endoradionuclide therapy and method for producing said metal complexes FORSCHUNGSZENTRUM ROSSENDORF E,V (DE) 2010-06-08 US disclosed
US-20080279770-A1 Metal Complexes Based on Tetrathiol Ligands and Their Use in Nuclear Medical Diagnostics and Endoradionuclide Therapy and Method For Producing Said Metal Complexes FORSCHUNGSZENTRUM ROSSENDORF E.V. (DE) 2008-11-13 US disclosed
EP-0724601-A4 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORP (US) 1999-02-03 EP disclosed
US-5684137-A TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS NEORX CORPORATION (US) 1997-11-04 US disclosed
EP-0724601-A1 S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1996-08-07 EP disclosed
WO-1995005398-A1 S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS NEORX CORPORATION (US) 1995-02-23 WO disclosed
US-5252721-A S3 N chelating compounds NEORX CORPORATION (US) 1993-10-12 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 (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-20080279770-A1 Metal Complexes Based on Tetrathiol Ligands and Their Use in Nuclear Medical Diagnostics and Endoradionuclide Therapy and Method For Producing Said Metal Complexes NTSR1, TSHR, NGLY1 ALDH1A1 3539/4885HPGD 2691/4885HSD17B10 2916/4885

“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.