Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PPID | Q08752 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1200742 | 1.00 | MMP8 (0.48) | MMP8ALDH1A1RECQLPPIDTSHR | |
| SCHEMBL346992 | 0.87 | TSHR (0.52) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| SCHEMBL3196850 | 0.87 | TSHR (0.52) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| Bromide SCHEMBL1200453 | 0.86 | TSHR (0.51) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| Hydrochloric Acid SCHEMBL3869786 | 0.86 | TSHR (0.51) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| Bromide SCHEMBL1200365 | 0.86 | TSHR (0.51) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| Hydrochloric Acid SCHEMBL3869792 | 0.86 | TSHR (0.51) | MMP8RECQLTSHRKIF11L3MBTL1 | |
| SCHEMBL4398300 | 0.82 | ALPI (0.55) | KIF11SMN1; SMN2HIF1AALPIPKM | |
| SCHEMBL4398295 | 0.82 | ALPI (0.55) | KIF11SMN1; SMN2HIF1AALPIPKM | |
| Bromide SCHEMBL2192294 | 0.80 | ALPI (0.53) | KIF11SMN1; SMN2HIF1AALPIPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-7893112-B2 | N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors | VIROBAY, INC. (US) | 2011-02-22 | — | — | 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 (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-20110172310-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | MMP8 316/4885ALDH1A1 1867/4885RECQL 2251/4885 |
“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.