Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 6/20 | 0.36 |
| ▸ | CNR2 | P34972 | 6/20 | 0.36 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL169994 | 0.92 | SMPD1 (0.39) | SMPD1ALPLGAATSHRTP53 | |
| SCHEMBL20661034 | 0.80 | HPGD (0.44) | MAPT | |
| SCHEMBL23115927 | 0.78 | AURKA (0.39) | GAATSHRMAPT | |
| SCHEMBL171962 | 0.78 | CNR2 (0.38) | SMPD1CNR1CNR2 | |
| SCHEMBL7417402 | 0.78 | KDM4E (0.38) | SMPD1CNR1CNR2 | |
| SCHEMBL12532887 | 0.77 | MAPK1 (0.36) | GAA | |
| SCHEMBL24928462 | 0.76 | TSHR (0.39) | GAATSHRTP53MAPT | |
| SCHEMBL20661082 | 0.73 | GRN (0.45) | — | |
| SCHEMBL24589286 | 0.72 | DGAT1 (0.35) | GAAMAPTRECQL | |
| SCHEMBL6855523 | 0.72 | TSHR (0.39) | ALPLGAATSHRTP53HTT |
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 6 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 |
| EP-2327704-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | Shionogi&Co., Ltd. (JP) | 2011-06-01 | — | — | EP | 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 1683/4885ALPL 3814/4885GAA 830/4885 |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | PIK3R5, PIK3R4, PIK3R1 | SMPD1 2687/4885ALPL 706/4885GAA 2338/4885 |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | MTOR, STAT3, SLC14A1 | SMPD1 909/4885ALPL 698/4885GAA 1336/4885 |
“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.