Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2289394 | 0.89 | S1PR1 (0.43) | S1PR1S1PR3PTGS1PTGS2ALDH1A1 | |
| SCHEMBL2290504 | 0.85 | S1PR1 (0.41) | S1PR1S1PR3PTGS1PTGS2ALDH1A1 | |
| SCHEMBL2290307 | 0.79 | S1PR1 (0.54) | S1PR1S1PR3 | |
| SCHEMBL2294748 | 0.79 | S1PR1 (0.41) | S1PR1S1PR3 | |
| SCHEMBL2293781 | 0.77 | S1PR1 (0.58) | S1PR1S1PR3PTGS1PTGS2THRA | |
| SCHEMBL2294292 | 0.76 | S1PR1 (0.49) | S1PR1S1PR3 | |
| SCHEMBL2289373 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12379897 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2293957 | 0.75 | S1PR1 (0.72) | S1PR1S1PR3 | |
| SCHEMBL262660 | 0.74 | S1PR1 (0.58) | S1PR1S1PR3PTGS1PTGS2ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976512-B1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| EP-1976512-B1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| US-8003800-B2 | Thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-08-23 | — | — | US | disclosed |
| US-8003800-B2 | Thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-08-23 | — | — | US | disclosed |
| US-8003800-B2 | Thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-08-23 | — | — | US | disclosed |
| US-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-23 | — | — | US | disclosed |
| US-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-23 | — | — | US | disclosed |
| US-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-09-23 | — | — | US | disclosed |
| EP-1976512-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | 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 (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-20100240717-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | S1PR3, S1PR1, S1PR2 | S1PR1 2/4885GSK3B 3674/4885S1PR3 1/4885 |
“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.