Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.78 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.78 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.78 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2955485 | 1.00 | S1PR1 (0.78) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL2954054 | 1.00 | S1PR1 (0.78) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL1172174 | 1.00 | S1PR1 (0.78) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL2955337 | 1.00 | S1PR1 (0.78) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL2954058 | 1.00 | S1PR1 (0.78) | S1PR1S1PR4S1PR5SPHK2THRA | |
| Trifluoroacetic Acid SCHEMBL29646249 | 0.94 | S1PR1 (0.73) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL3172852 | 0.94 | S1PR1 (0.70) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL3172869 | 0.94 | S1PR1 (0.70) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL3185331 | 0.93 | S1PR1 (0.69) | S1PR1S1PR4S1PR5SPHK2THRA | |
| SCHEMBL3177366 | 0.93 | S1PR1 (0.69) | S1PR1S1PR4S1PR5SPHK2THRA |
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-20100009936-A1 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | US | claimed |
| US-20080096938-A1 | Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-04-24 | — | — | US | claimed |
| US-7759370-B2 | Sphingosine-1-phosphate (SIP) receptor agonists | Praecis Pharmaceuticals (US) | 2010-07-20 | — | — | US | disclosed |
| US-20100009936-A1 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | US | disclosed |
| EP-2046746-A2 | CHEMICAL COMPOUNDS | Praecis Pharmaceuticals Incorporated (US) | 2009-04-15 | — | — | EP | disclosed |
| US-20080096938-A1 | Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-04-24 | — | — | US | disclosed |
| WO-2008016692-A2 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-02-07 | — | — | 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 (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-20080096938-A1 | Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example | S1PR1, S1PR2, S1PR5 | S1PR1 1/4885S1PR4 5/4885S1PR5 3/4885 |
| US-20100009936-A1 | CHEMICAL COMPOUNDS | CD4, ICOS, NFATC1 | S1PR1 12/4885S1PR4 76/4885S1PR5 28/4885 |
“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.