Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 9/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14880907 | 0.89 | CA12 (0.43) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL18112985 | 0.85 | CYP17A1 (0.48) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL528320 | 0.83 | CYP17A1 (0.48) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL529367 | 0.82 | CA1 (0.46) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL16535444 | 0.81 | HPGD (0.45) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL16015104 | 0.81 | CA1 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1824550 | 0.80 | EGFR (0.39) | CA12CA1CA2CA3CA4 | |
| SCHEMBL4165836 | 0.79 | CA1 (0.46) | CYP17A1CA12CA1CA2CA3 | |
| SCHEMBL15794327 | 0.79 | SMN1; SMN2 (0.47) | CA1CA2CA9TSHRPTGS2 | |
| SCHEMBL2635866 | 0.78 | KMT2A (0.40) | TP53CYP1A2CYP2C9RAB9ALMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2598481-B1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-08-31 | — | — | EP | disclosed |
| EP-2598481-B1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-08-31 | — | — | EP | disclosed |
| US-9388189-B2 | Pyrrolotriazinone derivatives as PI3K inhibitors | ALMIRALL, S.A. (ES) | 2016-07-12 | — | — | US | disclosed |
| US-20150291595-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2015-10-15 | — | — | US | disclosed |
| EP-2909207-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | Almirall S.A. (ES) | 2015-08-26 | — | — | EP | disclosed |
| US-8916553-B2 | Sulfonamide compounds useful as CYP17 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-12-23 | — | — | US | disclosed |
| US-20140148453-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-05-29 | — | — | US | disclosed |
| WO-2014060432-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2014-04-24 | — | — | WO | disclosed |
| EP-2598481-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | disclosed |
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | 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 (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-20150291595-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | PIK3CB, PIK3CD, PIK3CA | CYP17A1 447/4885CA12 4876/4885CA1 4819/4885 |
| US-20140148453-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | SULT1A1, SULT2A1, SULT1E1 | CYP17A1 28/4885CA12 1604/4885CA1 1477/4885 |
“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.