Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1174488 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2AKR1C3AKR1B10AKR1B1 | |
| SCHEMBL1858285 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2AKR1B10AKR1B1MMP2 | |
| SCHEMBL1858286 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2AKR1B10AKR1B1MMP2 | |
| SCHEMBL1174586 | 0.84 | KDM4E (0.42) | ALDH1A1SMN1; SMN2AKR1C3KDM4ESRC | |
| SCHEMBL1174584 | 0.84 | KDM4E (0.42) | ALDH1A1SMN1; SMN2AKR1C3KDM4ESRC | |
| SCHEMBL27697710 | 0.78 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2AKR1C3AKR1B10AKR1B1 | |
| SCHEMBL4011376 | 0.76 | CYP3A4 (0.48) | ALDH1A1SMN1; SMN2AKR1C3AKR1B10AKR1B1 | |
| SCHEMBL4011383 | 0.76 | CYP3A4 (0.48) | ALDH1A1SMN1; SMN2AKR1C3AKR1B10AKR1B1 | |
| SCHEMBL261351 | 0.71 | PTGS1 (0.44) | KDM4EPTGS2SRCESR1CYP1A2 | |
| SCHEMBL2910879 | 0.70 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2AKR1B10AKR1B1MMP2 |
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 43 patents — showing the first 20. 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 |
| US-8410151-B2 | Aminomethyl benzene derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-02 | — | — | US | disclosed |
| EP-2222667-B1 | NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 | ACTELION PHARMACEUTICALS LTD (CH) | 2013-02-20 | — | — | EP | disclosed |
| EP-2262782-B1 | NOVEL AMINOMETHYL BENZENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-07-04 | — | — | EP | disclosed |
| US-8148410-B2 | Thiophene derivatives as agonists of S1P1/EDG1 | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-04-03 | — | — | US | disclosed |
| US-8039644-B2 | Hydrogenated benzo (C) thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-18 | — | — | US | disclosed |
| US-8039644-B2 | Hydrogenated benzo (C) thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-18 | — | — | US | disclosed |
| US-8039644-B2 | Hydrogenated benzo (C) thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-10-18 | — | — | US | disclosed |
| US-8003800-B2 | Thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-08-23 | — | — | US | disclosed |
| US-7981924-B2 | Thiophene derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-07-19 | — | — | 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 |
| 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 |
| 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-1863474-A1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1863787-A1 | HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007060626-A1 | NOVEL THIOPHENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007060626-A1 | NOVEL THIOPHENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2007-05-31 | — | — | WO | disclosed |
| WO-2006100631-A1 | HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006100633-A1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS | 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 (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-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 | ALDH1A1 1893/4885SMN1; SMN2 4053/4885AKR1C3 2196/4885 |
“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.