Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12214282 | 1.00 | MCL1 (0.51) | MCL1MEN1KMT2APOLBS1PR1 | |
| SCHEMBL1859482 | 0.83 | S1PR1 (0.61) | S1PR1S1PR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12214267 | 0.83 | S1PR1 (0.61) | S1PR1S1PR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1857176 | 0.81 | MCL1 (0.44) | MCL1MEN1KMT2APOLBS1PR1 | |
| SCHEMBL12214355 | 0.79 | CTSB (0.50) | MEN1KMT2AS1PR1MAPTS1PR3 | |
| SCHEMBL1859438 | 0.79 | CTSB (0.50) | MEN1KMT2AS1PR1MAPTS1PR3 | |
| SCHEMBL12214283 | 0.78 | S1PR1 (0.70) | S1PR1S1PR3 | |
| SCHEMBL13002063 | 0.78 | MCL1 (0.49) | MCL1MEN1KMT2APOLBS1PR1 | |
| SCHEMBL1857175 | 0.77 | S1PR1 (0.47) | S1PR1S1PR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12214336 | 0.77 | S1PR1 (0.47) | S1PR1S1PR3CYP1A2CYP3A4CYP2D6 |
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 | MCL1 145/4885MEN1 4419/4885KMT2A 2512/4885 |
| 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 | MCL1 1664/4885MEN1 1855/4885KMT2A 2982/4885 |
“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.