Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL171958 | 0.92 | SMPD1 (0.41) | SMPD1ALPLTSHRRECQLTP53 | |
| SCHEMBL20661082 | 0.81 | GRN (0.45) | — | |
| SCHEMBL20419549 | 0.80 | AURKA (0.40) | TSHRGAA | |
| SCHEMBL12532886 | 0.79 | MAPKAPK2 (0.40) | — | |
| SCHEMBL171962 | 0.76 | CNR2 (0.38) | SMPD1CNR1CNR2 | |
| SCHEMBL20661034 | 0.75 | HPGD (0.44) | — | |
| SCHEMBL22151650 | 0.72 | KDM4E (0.41) | TSHRGAAHTT | |
| SCHEMBL20660724 | 0.72 | KDM4E (0.35) | GAA | |
| SCHEMBL1267336 | 0.72 | KDM4E (0.50) | — | |
| SCHEMBL22151409 | 0.72 | KDM4E (0.40) | TSHRGAAHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9650371-B2 | Sulfur-containing heterocyclic derivative having beta secretase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2017-05-16 | — | — | US | disclosed |
| US-20160326158-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2016-11-10 | — | — | US | disclosed |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-03-22 | — | — | US | disclosed |
| EP-2426135-A1 | UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-09-22 | — | — | 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-20160326158-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | SMPD1 1683/4885RARB 2627/4885ALPL 3814/4885 |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | PIK3R5, PIK3R4, PIK3R1 | SMPD1 2687/4885RARB 1381/4885ALPL 706/4885 |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | MTOR, STAT3, SLC14A1 | SMPD1 909/4885RARB 2792/4885ALPL 698/4885 |
“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.