Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14207655 | 0.84 | CES2 (0.41) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL2893148 | 0.80 | TOP2A (0.38) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL752273 | 0.79 | TOP2A (0.46) | CES2CES1TOP2ATOP2BMEN1 | |
| SCHEMBL752942 | 0.78 | HDAC4 (0.40) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL750944 | 0.78 | HDAC4 (0.40) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL10331387 | 0.78 | HDAC4 (0.40) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL10331388 | 0.78 | HDAC4 (0.40) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL10331389 | 0.78 | HDAC4 (0.40) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL227352 | 0.76 | CES2 (0.55) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL10331386 | 0.75 | HDAC4 (0.41) | CES2CES1HDAC4HDAC7HDAC5 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222247-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-07-17 | — | — | US | disclosed |
| US-8222247-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-07-17 | — | — | US | disclosed |
| US-8222247-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-07-17 | — | — | US | disclosed |
| EP-2078015-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| US-20100004219-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-07 | — | — | US | disclosed |
| US-20100004219-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-07 | — | — | US | disclosed |
| US-20100004219-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-07 | — | — | US | disclosed |
| CN-101573356-A | Modulators of glucocorticoid receptor, ap-1, and/or nf-kb activity and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2009-11-04 | — | — | CN | disclosed |
| EP-2078015-A2 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | Brystol-Myers Squibb Company (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008057859-A2 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008057859-A2 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | 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-20100004219-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF | NR3C1, NFRKB, RELA | CES2 4465/4885CES1 2357/4885HDAC4 1051/4885 |
“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.