Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 4/20 | 0.40 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 3/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10299843 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL12588138 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL15954215 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL2046597 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL14144951 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL12588136 | 1.00 | PDE7A (0.40) | PDE7ALIG1BRD4MMP13AKR1A1 | |
| SCHEMBL18052662 | 0.86 | PDE7A (0.39) | PDE7ALIG1BRD4 | |
| SCHEMBL12588137 | 0.86 | LIG1 (0.36) | PDE7ALIG1BRD4 | |
| SCHEMBL7070786 | 0.85 | CRBN (0.43) | PDE7AAKR1A1AKR1B1CRBNDDB1 | |
| SCHEMBL2047677 | 0.77 | BRD4 (0.42) | PDE7ALIG1BRD4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8217027-B2 | Sphingosine-1-phosphate receptor agonist and antagonist compounds | ABBOTT LABORATORIES (US) | 2012-07-10 | — | — | US | disclosed |
| US-20110190540-A1 | Methods for Preparing S1P Receptor Agonists and Antagonists | ABBOTT LABORATORIES (US) | 2011-08-04 | — | — | US | disclosed |
| US-7956195-B2 | reacting arylboronic acids with a cycloalkanone, in the presence of a rhodium catalyst or BINAP, to form a substituted arylcycloalkanone, then formin of a hydantoin, alkylation of the hydantoin, resolution, hydrolysis of the hydantoin to the amino acids and esterification of acids; chemical intermediates | ABBOTT LABORATORIES (US) | 2011-06-07 | — | — | US | disclosed |
| EP-2120575-A1 | SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS | Abbott Laboratories (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-2102145-A1 | PROCESS FOR THE PREPARATION AND ISOLATION OF THE INDIVIDUAL STEREOISOMERS OF 1-AMINO, 3-SUBSTITUTED PHENYLCYCLOPENTANE CARBOXYLATES | Abbott Laboratories (US) | 2009-09-23 | — | — | EP | disclosed |
| US-20090029947-A1 | Sphingosine-1-phosphate receptor agonist and antagonist compounds | ABBVIE INC. | 2009-01-29 | — | — | US | disclosed |
| US-20080255367-A1 | Process for the preparation and isolation of the individual stereoisomers of 1-amino, 3-substituted phenylcyclopentane-carboxylates | ABBVIE INC. | 2008-10-16 | — | — | US | disclosed |
| WO-2008079380-A1 | PROCESS FOR THE PREPARATION AND ISOLATION OF THE INDIVIDUAL STEREOISOMERS OF 1-AMINO, 3-SUBSTITUTED PHENYLCYCLOPENTANE CARBOXYLATES | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008079382-A1 | SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | 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 (3 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-20090029947-A1 | Sphingosine-1-phosphate receptor agonist and antagonist compounds | S1PR1, S1PR3, S1PR5 | PDE7A 188/4885LIG1 4253/4885BRD4 1376/4885 |
| US-20080255367-A1 | Process for the preparation and isolation of the individual stereoisomers of 1-amino, 3-substituted phenylcyclopentane-carboxylates | DDC, DNPEP, AAAS | PDE7A 1833/4885LIG1 340/4885BRD4 2791/4885 |
| US-20110190540-A1 | Methods for Preparing S1P Receptor Agonists and Antagonists | S1PR1, S1PR2, S1PR3 | PDE7A 30/4885LIG1 3294/4885BRD4 1452/4885 |
“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.