SCHEMBL5318777

SCHEMBL5318777

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CA3 P07451 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38

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
SCHEMBL3291470 0.88 ALDH1A1 (0.48) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL3297498 0.88 ALDH1A1 (0.50) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL3322036 0.86 TSHR (0.36) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL5458833 0.82 FNTA (0.46) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL14001445 0.80 TDP1 (0.44) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL3322029 0.79 CA3 (0.35) HSD17B10ALDH1A1KDM4EMAPTCA3
SCHEMBL5463173 0.79 ALDH1A1 (0.52) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL5463763 0.78 DNM1 (0.42) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL5471965 0.78 TDP1 (0.46) HPGDHSD17B10TDP1ALDH1A1KMT2A
SCHEMBL5456318 0.74 LAP3 (0.54) HPGDHSD17B10TDP1ALDH1A1KMT2A

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 6 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-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 HPGD 2691/4885HSD17B10 2916/4885TDP1 3052/4885

“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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