Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CPB1 | P15086 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1844692 | 0.88 | CASP3 (0.41) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL2785651 | 0.88 | CCR2 (0.49) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL2785645 | 0.88 | CCR2 (0.49) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL2579666 | 0.87 | CTSK (0.43) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL3246083 | 0.85 | CCR2 (0.50) | CCR2CCR5 | |
| SCHEMBL1842782 | 0.84 | CASP3 (0.38) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL3440819 | 0.84 | ALDH1A1 (0.46) | CASP3CCR2CCR5CTSKCPB1 | |
| SCHEMBL3731023 | 0.83 | ALDH1A1 (0.47) | CTSKALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3731016 | 0.83 | ALDH1A1 (0.47) | CTSKALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3440814 | 0.83 | CCR2 (0.53) | CASP3CCR2CCR5ALDH1A1GAA |
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-8049019-B2 | Substituted pyrrolidine-2-one compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-11-01 | — | — | US | disclosed |
| EP-2049519-B9 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-12-29 | — | — | EP | disclosed |
| EP-2194051-A1 | Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity | Bristol-Myers Squibb Company (US) | 2010-06-09 | — | — | EP | disclosed |
| EP-2049519-B1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-05-12 | — | — | EP | disclosed |
| US-20100113489-A1 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS | BRISTOL-MYERS SQUIBB COMPANY | 2010-05-06 | — | — | US | disclosed |
| US-7687508-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-30 | — | — | US | disclosed |
| US-7629351-B2 | N-((1R,2S,5R)-5-(tert-butylamino)-2-((S)-2-oxo-3-(6-(trifluoromethyl)quinazolin-4-ylamino) pyrrolidin-1-yl)cyclohexyl)acetamide and other modulators of chemokine receptor activity, crystalline forms and process | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-08 | — | — | US | disclosed |
| US-20080027080-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-31 | — | — | US | disclosed |
| US-20080027084-A1 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-31 | — | — | US | 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-20080027084-A1 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CRYSTALLINE FORMS AND PROCESS | ACKR3, CCR1, CXCR1 | CASP3 1476/4885CCR2 4/4885CCR5 7/4885 |
| US-20080027080-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | CCR5, CXCR4, CCR7 | CASP3 3061/4885CCR2 5/4885CCR5 1/4885 |
| US-20100113489-A1 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS | ACKR3, CCR1, CCR2 | CASP3 1702/4885CCR2 3/4885CCR5 7/4885 |
“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.