SCHEMBL3297498

SCHEMBL3297498

O=C(O)C(S)C(S)C(=O)NCCCCCCCCNC(=O)C(S)C(S)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ ALDH1A2 O94788 1/20 0.50
▸ ALDH2 P05091 1/20 0.50
▸ ALDH1A3 P47895 1/20 0.50
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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 0.88 HPGD (0.44) ALDH1A1ALDH1A2ALDH2ALDH1A3HPGD
SCHEMBL5458833 0.86 FNTA (0.46) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL3291470 0.83 ALDH1A1 (0.48) ALDH1A1ALDH1A2ALDH2ALDH1A3HPGD
SCHEMBL5463173 0.83 ALDH1A1 (0.52) ALDH1A1ALDH1A2ALDH2ALDH1A3HPGD
SCHEMBL5463763 0.81 DNM1 (0.42) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL5471965 0.81 TDP1 (0.46) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL14001445 0.79 TDP1 (0.44) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL5456318 0.78 LAP3 (0.54) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL5469494 0.76 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TDP1KDM4E
SCHEMBL5468515 0.76 TDP1 (0.50) ALDH1A1HPGDHSD17B10TDP1KDM4E

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 7 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
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 ALDH1A1 3539/4885ALDH1A2 3680/4885ALDH2 3602/4885

“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.

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