Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.44 |
| ▸ | CTSD | P07339 | 8/20 | 0.43 |
| ▸ | GRM5 | P41594 | 5/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24037298 | 0.81 | ALDH1A1 (0.43) | GRM5CYP2A6 | |
| SCHEMBL15443969 | 0.80 | BACE1 (0.46) | BACE1CTSDGRM5CYP2A6 | |
| SCHEMBL17277727 | 0.77 | BACE1 (0.48) | BACE1CTSDGRM5CYP2A6PRMT5 | |
| SCHEMBL15820715 | 0.77 | BACE1 (0.49) | BACE1CTSDGRM5CYP2A6PRMT5 | |
| SCHEMBL17850231 | 0.74 | BACE1 (0.38) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL12597645 | 0.73 | IKBKB (0.35) | — | |
| SCHEMBL15291971 | 0.73 | BACE1 (0.34) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL18373628 | 0.72 | BACE1 (0.35) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL17540830 | 0.69 | DYRK1A (0.62) | CYP2A6 | |
| SCHEMBL5742874 | 0.69 | GRM5 (0.38) | BACE1GRM5CYP2A6PRMT5WDR77 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221839-B2 | C5-C6 oxacyclic-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-12-29 | — | — | US | disclosed |
| US-9181236-B2 | 2-spiro-substituted iminothiazines and their mono-and dioxides as bace inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2015-11-10 | — | — | US | disclosed |
| US-9145426-B2 | Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2015-09-29 | — | — | US | disclosed |
| US-20140200213-A1 | 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2014-07-17 | — | — | US | disclosed |
| US-20140023668-A1 | C5-C6 OXACYCLIC-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2014-01-23 | — | — | US | disclosed |
| US-20140023667-A1 | PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck, Sharp & Dohme Corp. (US) | 2014-01-23 | — | — | US | disclosed |
| WO-2013028670-A1 | 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | 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 (3 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-20140023668-A1 | C5-C6 OXACYCLIC-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, BACE2, PSEN1 | BACE1 1/4885CTSD 1043/4885GRM5 1718/4885 |
| US-20140200213-A1 | 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE | BACE2, BACE1, APP | BACE1 2/4885CTSD 1912/4885GRM5 2160/4885 |
| US-20140023667-A1 | PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, PSEN1, BACE2 | BACE1 1/4885CTSD 397/4885GRM5 2083/4885 |
“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.