Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25322292 | 0.92 | ESR2 (0.44) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL29475527 | 0.92 | ESR2 (0.44) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL4917653 | 0.85 | MEN1 (0.48) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL2109651 | 0.84 | RBP4 (0.51) | HDAC1HDAC8HDAC6USP30ALOX15 | |
| SCHEMBL2108853 | 0.83 | ESR2 (0.44) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL3438854 | 0.83 | GPR119 (0.47) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL2110412 | 0.82 | PRSS1 (0.52) | ESR2NR1H2GPR119HDAC1HDAC8 | |
| SCHEMBL31758554 | 0.81 | GPR119 (0.41) | ESR2NR1H2GPR119HDAC1NPC1 | |
| SCHEMBL22801939 | 0.81 | HDAC1 (0.47) | ESR2GPR119HDAC1HDAC8HDAC6 | |
| SCHEMBL31694099 | 0.81 | ALK (0.42) | ESR2GPR119HDAC1HDAC8HDAC6 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE47636-E1 | Substituted spirocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-10-08 | — | — | US | disclosed |
| EP-3191487-B1 | SPIROCYCLIC INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2019-08-07 | — | — | EP | disclosed |
| EP-3511331-A1 | SPIROCYCLIC INHIBITORS OF CATHEPSIN C | Boehringer Ingelheim International GmbH (DE) | 2019-07-17 | — | — | EP | disclosed |
| WO-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| WO-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| US-9879026-B2 | Substituted spirocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| US-9879026-B2 | Substituted spirocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-01-30 | — | — | US | disclosed |
| US-20170073352-A1 | NOVEL SUBSTITUTED SPIROCYCLES | BOEHRINGER INGELHEIM INT (DE) | 2017-03-16 | — | — | US | disclosed |
| US-20170073352-A1 | NOVEL SUBSTITUTED SPIROCYCLES | BOEHRINGER INGELHEIM INT (DE) | 2017-03-16 | — | — | US | disclosed |
| US-9540373-B2 | Substituted spirocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540373-B2 | Substituted spirocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20160075704-A1 | NOVEL SUBSTITUTED SPIROCYCLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-17 | — | — | 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-20160075704-A1 | NOVEL SUBSTITUTED SPIROCYCLES | CTSC, CTSE, CTSS | ESR2 1880/4885NR1H2 897/4885GPR119 461/4885 |
| US-20170073352-A1 | NOVEL SUBSTITUTED SPIROCYCLES | CTSC, CTSE, CTSS | ESR2 1880/4885NR1H2 897/4885GPR119 461/4885 |
“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.