Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.41 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.41 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25594884 | 0.88 | PPARA (0.45) | PPARACYP2C9PTGER1PPARGCTSS | |
| SCHEMBL25599482 | 0.87 | PPARA (0.44) | PPARACYP2C9PTGER1PPARGCTSS | |
| SCHEMBL28632711 | 0.86 | PPARA (0.42) | PPARACYP2C9PTGER1KMT2AGAA | |
| SCHEMBL798842 | 0.79 | GAA (0.49) | PTGER1MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL798561 | 0.77 | GRN (0.49) | MEN1KMT2AGAAALDH1A1L3MBTL1 | |
| SCHEMBL799021 | 0.76 | GAA (0.44) | MEN1KMT2AGAAALDH1A1LMNA | |
| SCHEMBL17517053 | 0.74 | PKM (0.49) | PPARACYP2C9PTGER1MEN1KMT2A | |
| SCHEMBL20418814 | 0.74 | LMNA (0.61) | MEN1KMT2AGAAALDH1A1LMNA | |
| SCHEMBL35210874 | 0.73 | SMN1; SMN2 (0.57) | PTGER1MEN1KMT2AGAABRD9 | |
| SCHEMBL22150499 | 0.73 | TDP1 (0.41) | MEN1KMT2AGAAALDH1A1LMNA |
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 9 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-20160108052-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2016-04-21 | — | — | US | disclosed |
| US-9273053-B2 | Sulfur-containing heterocyclic derivative having Beta secretase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2016-03-01 | — | — | US | disclosed |
| US-20150105379-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-04-16 | — | — | US | disclosed |
| US-8637504-B2 | Sulfur-containing heterocyclic derivative having beta secretase inhibitory activity | SHIONOGI & CO., LTD. (JP) | 2014-01-28 | — | — | US | disclosed |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-03-22 | — | — | US | disclosed |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-09-22 | — | — | US | disclosed |
| US-20110190279-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-08-04 | — | — | 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 (6 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-20160108052-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | PPARA 1537/4885CYP2C9 2218/4885PTGER1 3258/4885 |
| US-20160326158-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | PPARA 1663/4885CYP2C9 2216/4885PTGER1 3356/4885 |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | PIK3R5, PIK3R4, PIK3R1 | PPARA 2080/4885CYP2C9 1755/4885PTGER1 4063/4885 |
| US-20150105379-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | PPARA 1537/4885CYP2C9 2218/4885PTGER1 3258/4885 |
| US-20110190279-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | PPARA 1537/4885CYP2C9 2218/4885PTGER1 3258/4885 |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | MTOR, STAT3, SLC14A1 | PPARA 2169/4885CYP2C9 3873/4885PTGER1 3988/4885 |
“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.