Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL12214415 | 1.00 | S1PR1 (0.47) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1857452 | 0.90 | S1PR1 (0.47) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12214416 | 0.90 | S1PR1 (0.47) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1855921 | 0.88 | S1PR1 (0.38) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12214308 | 0.88 | S1PR1 (0.38) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1859482 | 0.86 | S1PR1 (0.61) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12214267 | 0.86 | S1PR1 (0.61) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12214413 | 0.82 | CYP1A2 (0.39) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1861339 | 0.82 | CYP1A2 (0.39) | S1PR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1853741 | 0.81 | S1PR1 (0.41) | S1PR1S1PR3 |
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-8039644-B2 | Hydrogenated benzo (C) thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-18 | — | — | US | disclosed |
| EP-1863787-B1 | HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-05-25 | — | — | EP | disclosed |
| US-20100204198-A1 | HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-08-12 | — | — | US | disclosed |
| US-7723378-B2 | G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-05-25 | — | — | US | disclosed |
| US-20080176926-A1 | G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease | ACTELION PHARMACEUTICALS LTD. (CH) | 2008-07-24 | — | — | US | disclosed |
| EP-1863787-A1 | HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100631-A1 | HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-09-28 | — | — | 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 (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-20100204198-A1 | HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | NFATC1, ICOS, TPMT | S1PR1 2309/4885CYP1A2 1075/4885CYP3A4 635/4885 |
| US-20080176926-A1 | G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease | S1PR1, S1PR3, S1PR5 | S1PR1 1/4885CYP1A2 3097/4885CYP3A4 2910/4885 |
“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.