Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.55 |
| ▸ | WNT3A | P56704 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28928527 | 0.85 | CES2 (0.61) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL634160 | 0.83 | CES2 (0.59) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL906035 | 0.81 | CES2 (0.57) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL29649064 | 0.81 | CES2 (0.57) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL2691520 | 0.81 | NR4A2 (0.62) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL960252 | 0.81 | CES2 (0.57) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL116221 | 0.81 | THRA (0.53) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL29965467 | 0.81 | THRA (0.53) | PARP1CES2CES1CTNNB1WNT3A | |
| SCHEMBL29987428 | 0.80 | MEN1 (0.72) | PARP1CES2CES1CTNNB1WNT3A | |
| Hydrochloric Acid SCHEMBL18921476 | 0.80 | CES2 (0.55) | PARP1CES2CES1CTNNB1WNT3A |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7495023-B2 | Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-02-24 | — | — | US | disclosed |
| US-20050182121-A1 | Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-08-18 | — | — | US | disclosed |
| US-6897240-B2 | Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040014801-A1 | Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-01-22 | — | — | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040014801-A1 | Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use | CTSB, CTSS, CTSL | PARP1 3032/4885CES2 239/4885CES1 211/4885 |
| US-20050182121-A1 | Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use | CTSB, CTSS, CSTB | PARP1 3218/4885CES2 242/4885CES1 184/4885 |
“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.