SCHEMBL3322036

SCHEMBL3322036

CCOC(=O)C(S)C(S)C(=O)NCCCNCCCNC(=O)C(S)C(S)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PAOX Q6QHF9 1/20 0.33
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5318777 0.86 HPGD (0.44) CYP2D6CYP2C19PAOXMMEACE
SCHEMBL3322029 0.81 CA3 (0.35) TSHRPAOXMMEACECPA1
SCHEMBL28765547 0.79 ALDH1A1 (0.52) CYP2D6MMEACECPA1ACE2
SCHEMBL5458833 0.77 FNTA (0.46) MMEACECPA1ACE2FNTA
SCHEMBL3297498 0.75 ALDH1A1 (0.50) MMEACECPA1ACE2FNTA
SCHEMBL3291470 0.75 ALDH1A1 (0.48) TSHRMMEACECPA1ACE2
SCHEMBL5471965 0.73 TDP1 (0.46) TSHRMMEACECPA1ACE2
SCHEMBL4654662 0.71 ALDH1A1 (0.50) TSHRHSD17B10MEN1ALDH1A1ALOX15
SCHEMBL5463763 0.70 DNM1 (0.42) PAOXHPGDHSD17B10TDP1ABCB11
SCHEMBL5468515 0.69 TDP1 (0.50) TSHRMMEACECPA1ACE2

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 4 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-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

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 TSHR 2/4885CYP3A4 4204/4885CYP2D6 4013/4885

“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.

Send feedback