Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.52 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.50 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.47 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.45 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10088897 | 0.83 | CTSS (0.55) | MRGPRX4AAK1SSTR4TRPV4SCN9A | |
| SCHEMBL17309854 | 0.80 | SLC6A9 (0.47) | XDHARALDH1A1GAASLC6A9 | |
| SCHEMBL251485 | 0.80 | CTSS (0.50) | MRGPRX4AAK1SSTR4TRPV4SCN9A | |
| SCHEMBL23578526 | 0.79 | MRGPRX4 (0.50) | MRGPRX4SSTR4TRPV4SCN9ACTSS | |
| SCHEMBL12455378 | 0.78 | MRGPRX4 (0.48) | XDHMRGPRX4SSTR4ARALDH1A1 | |
| SCHEMBL31019133 | 0.78 | XDH (0.53) | XDH | |
| SCHEMBL2344031 | 0.78 | XDH (0.53) | XDH | |
| SCHEMBL15473206 | 0.78 | XDH (0.47) | XDHMRGPRX4AAK1ALDH1A1GAA | |
| SCHEMBL27642753 | 0.78 | CTSS (0.44) | MRGPRX4AAK1SSTR4TRPV4SCN9A | |
| SCHEMBL3495657 | 0.78 | CTSS (0.44) | MRGPRX4AAK1SSTR4TRPV4SCN9A |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659294-B2 | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists | MERCK & CO., INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-7605171-B2 | (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists | MERCK & CO., INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-02-12 | — | — | US | disclosed |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | MERCK & CO., INC. (US) | 2008-10-09 | — | — | US | disclosed |
| EP-1549640-A4 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1625123-A4 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO INC (US) | 2007-08-29 | — | — | EP | disclosed |
| EP-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| US-7199142-B2 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. (US) | 2007-04-03 | — | — | US | disclosed |
| US-20070043014-A1 | 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists | MERCK & CO., INC. (US) | 2007-02-22 | — | — | US | disclosed |
| CN-1788008-A | 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as S1P receptor agonists | MERCK & CO INC (US) | 2006-06-14 | — | — | CN | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |
| EP-1625123-A2 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-02-15 | — | — | EP | disclosed |
| US-20050245575-A1 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | MERCK & CO., INC. | 2005-11-03 | — | — | US | disclosed |
| EP-1549640-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005032465-A2 | 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-04-14 | — | — | WO | disclosed |
| WO-2004103279-A2 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2004-12-02 | — | — | WO | disclosed |
| WO-2004035538-A1 | PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID | MERCK & CO., INC. (US) | 2004-04-29 | — | — | WO | disclosed |
| WO-2003105771-A2 | 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | 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 (4 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-20070043014-A1 | 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists | S1PR3, S1PR1, S1PR5 | XDH 2713/4885MRGPRX4 78/4885AAK1 1438/4885 |
| US-20050245575-A1 | 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists | EDNRA, OXGR1, EDNRB | XDH 1334/4885MRGPRX4 173/4885AAK1 797/4885 |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | S1PR1, S1PR3, S1PR5 | XDH 4099/4885MRGPRX4 232/4885AAK1 2174/4885 |
| US-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | S1PR1, S1PR3, S1PR5 | XDH 4237/4885MRGPRX4 177/4885AAK1 969/4885 |
“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.