Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4639040 | 0.82 | PTGS2 (0.50) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL1382871 | 0.80 | NR3C2 (0.53) | PTGS2MEN1KMT2ATP53NR3C2 | |
| SCHEMBL2026933 | 0.79 | NR3C2 (0.45) | MEN1KMT2ARXFP1TP53NPC1 | |
| SCHEMBL4638574 | 0.78 | ALDH1A1 (0.49) | MEN1KMT2ARXFP1TP53NPC1 | |
| SCHEMBL2028615 | 0.78 | NR3C2 (0.52) | PTGS2MEN1KMT2ARXFP1RAB9A | |
| SCHEMBL2027864 | 0.78 | SMN1; SMN2 (0.49) | MEN1KMT2ARXFP1NPC1RAB9A | |
| SCHEMBL1382826 | 0.77 | NR3C2 (0.44) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL2026896 | 0.77 | NR3C2 (0.56) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL1380450 | 0.77 | SMN1; SMN2 (0.48) | MEN1KMT2ARXFP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2028425 | 0.77 | NR3C2 (0.48) | PTGS2MEN1KMT2ARXFP1NPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20110144128-A1 | Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands | EXELIXIS, INC. (US) | 2011-06-16 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | 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 (2 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-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | PTGS2 275/4885CA12 3901/4885CA1 2327/4885 |
| US-20110144128-A1 | Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands | NCOA1, NCOA2, NCOA3 | PTGS2 962/4885CA12 3866/4885CA1 3623/4885 |
“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.