Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18502825 | 0.92 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL9549649 | 0.83 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL18502817 | 0.78 | GRIN2D (0.32) | — | |
| SCHEMBL18502828 | 0.76 | LMNA (0.39) | NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL18826113 | 0.75 | NPC1 (0.30) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18502821 | 0.75 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21811138 | 0.73 | NPC1 (0.37) | NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL25965240 | 0.72 | CYP4F2 (0.33) | CYP4F2CYP4A11TSHR | |
| SCHEMBL18502818 | 0.71 | — | — | |
| SCHEMBL18079303 | 0.69 | CYP4F2 (0.31) | CYP4F2CYP4A11 |
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-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-9643941-B2 | 2,2′-tandem dithiazole compound, preparation method therefor, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-05-09 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | US | disclosed |
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2017-02-16 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170044119-A1 | 2,2'-TANDEM DITHIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | HDAC2, HDAC11, HDAC8 | NPC1 3670/4885RAB9A 4750/4885SMN1; SMN2 2607/4885 |
“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.