SCHEMBL3294106

SCHEMBL3294106

CC1(C)SC(C(=O)O)C(C(=O)O)S1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13294369 0.88 GAA (0.30) APLNRMEN1KMT2A
SCHEMBL11547454 0.86
SCHEMBL13310641 0.84
SCHEMBL13294375 0.77 POLB (0.36)
SCHEMBL13294401 0.75 CA12 (0.36)
SCHEMBL14001446 0.74
SCHEMBL10640937 0.67
SCHEMBL23829520 0.63
SCHEMBL23829802 0.63
SCHEMBL10602218 0.59 APLNR (0.36) APLNRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101597276-B Propylidene derivative of N-(Alpha, Beta-dimercapto-Beta-carboxyl propionyl)-amino acid and synthetic method and application thereof UNIV BEIJING 2012-03-28 CN claimed
CN-101597276-A N-(α, Beta-dimercapto base-β-carboxypropanoyl)-amino acid whose propylidene derivative and synthetic method and application UNIV BEIJING (CN) 2009-12-09 CN claimed
CN-101597276-B Propylidene derivative of N-(Alpha, Beta-dimercapto-Beta-carboxyl propionyl)-amino acid and synthetic method and application thereof UNIV BEIJING 2012-03-28 CN disclosed
CN-101597276-B Propylidene derivative of N-(Alpha, Beta-dimercapto-Beta-carboxyl propionyl)-amino acid and synthetic method and application thereof UNIV BEIJING 2012-03-28 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-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-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
CN-101597276-A N-(α, Beta-dimercapto base-β-carboxypropanoyl)-amino acid whose propylidene derivative and synthetic method and application UNIV BEIJING (CN) 2009-12-09 CN disclosed
CN-101597276-A N-(α, Beta-dimercapto base-β-carboxypropanoyl)-amino acid whose propylidene derivative and synthetic method and application UNIV BEIJING (CN) 2009-12-09 CN 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
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-1742898-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) 2007-01-17 EP disclosed
WO-2005108330-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) 2005-11-17 WO 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
US-5399710-A Protein labeling reagents NEORX CORPORATION (US) 1995-03-21 US 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
US-5175256-A Protein labeling reagents NEORX CORPORATION (US) 1992-12-29 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 (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 APLNR 1019/4885MEN1 199/4885KMT2A 3847/4885

“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.