SCHEMBL8315662

SCHEMBL8315662

COC(=O)C1SC(C)(C)SC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL11547454 0.85
SCHEMBL3294106 0.84 APLNR (0.36) KMT2A
SCHEMBL13310641 0.75
SCHEMBL8314925 0.75
SCHEMBL13294369 0.74 GAA (0.30) KMT2A
SCHEMBL13294375 0.68 POLB (0.36) POLBHIF1A
SCHEMBL8784872 0.67 PPM1B (0.32) PPM1BPTPN1PPP1CCPOLB
SCHEMBL5706652 0.66 HTT (0.41) HTTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL14001446 0.66
SCHEMBL28019036 0.66 HTT (0.41) HTTPPM1BPTPN1PPP1CCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 HTT 2487/4885PPM1B 4738/4885PTPN1 2673/4885

“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.