Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL22074956 | 0.84 | ESR2 (0.36) | LMNAESR2NR1H2KDM1AGPR119 | |
| SCHEMBL172068 | 0.84 | NR1H2 (0.41) | ESR2NR1H2KDM1AGPR119USP2 | |
| SCHEMBL25594892 | 0.83 | ESR2 (0.36) | LMNAESR2NR1H2KDM1AGPR119 | |
| SCHEMBL170000 | 0.83 | ESR2 (0.36) | ESR2NR1H2KDM1AGPR119USP2 | |
| SCHEMBL169996 | 0.81 | ALDH1A1 (0.42) | TP53ESR2NR1H2GPR119SMN1; SMN2 | |
| SCHEMBL18618901 | 0.81 | CHRM2 (0.38) | TP53LMNAESR2SMPD3NR1H2 | |
| SCHEMBL12307554 | 0.80 | PIK3CG (0.36) | ESR2NR1H2GPR119MAPT | |
| SCHEMBL12307395 | 0.78 | GCK (0.35) | ESR2NR1H2GPR119SMN1; SMN2 | |
| SCHEMBL22075239 | 0.76 | GRM5 (0.41) | TP53LMNAESR2NR1H2 | |
| SCHEMBL22102671 | 0.76 | GRM5 (0.41) | TP53LMNAESR2NR1H2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230167110-A1 | 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS | SCHRÖDINGER, INC. | 2023-06-01 | — | — | US | disclosed |
| 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 (7 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 | TP53 1420/4885LMNA 2182/4885ESR2 719/4885 |
| US-20160326158-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | TP53 1369/4885LMNA 2063/4885ESR2 728/4885 |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | PIK3R5, PIK3R4, PIK3R1 | TP53 342/4885LMNA 4560/4885ESR2 2102/4885 |
| US-20150105379-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | TP53 1420/4885LMNA 2182/4885ESR2 719/4885 |
| US-20110190279-A1 | SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY | BACE1, BACE2, APP | TP53 1420/4885LMNA 2182/4885ESR2 719/4885 |
| US-20230167110-A1 | 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS | JAK2, JAK3, STAT5B | TP53 627/4885LMNA 4393/4885ESR2 1005/4885 |
| US-20120071475-A1 | UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY | MTOR, STAT3, SLC14A1 | TP53 271/4885LMNA 4258/4885ESR2 3440/4885 |
“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.