Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.50 |
| ▸ | JAK3 | P52333 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3034977 | 0.86 | S1PR1 (0.62) | S1PR1S1PR3JAK3LCK | |
| SCHEMBL2771569 | 0.81 | S1PR1 (0.62) | S1PR1S1PR3JAK3LCK | |
| SCHEMBL11528320 | 0.80 | CYP1A2 (0.45) | JAK3ALDH1A1 | |
| SCHEMBL12745081 | 0.75 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1 | |
| SCHEMBL13216684 | 0.74 | S1PR1 (0.83) | S1PR1S1PR3 | |
| SCHEMBL3037603 | 0.73 | S1PR1 (0.56) | S1PR1 | |
| SCHEMBL25892880 | 0.73 | JAK3 (0.65) | S1PR1S1PR3JAK3LCK | |
| Cyclopropane SCHEMBL29089811 | 0.73 | GABRA1 (0.44) | ALDH1A1 | |
| SCHEMBL2773911 | 0.72 | S1PR1 (0.54) | S1PR1 | |
| SCHEMBL2772870 | 0.72 | S1PR1 (0.57) | S1PR1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9150519-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2015-10-06 | — | — | US | disclosed |
| EP-2183224-B1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2013-11-06 | — | — | EP | disclosed |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2013-05-02 | — | — | US | disclosed |
| US-8399448-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2013-03-19 | — | — | US | disclosed |
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | MERCK SERONO SA (CH) | 2010-08-19 | — | — | 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-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | S1PR1, S1PR5, S1PR3 | S1PR1 1/4885S1PR3 3/4885JAK3 2504/4885 |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | S1PR1, S1PR5, S1PR3 | S1PR1 1/4885S1PR3 3/4885JAK3 2601/4885 |
“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.