Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Benzothiophene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.39 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzothiophene SCHEMBL28545602 | 0.97 | CA12 (0.42) | CA12CA9CYP2A6GPR3CTNNB1 | |
| Benzothiophene SCHEMBL27873783 | 0.97 | CA12 (0.42) | CA12CA9CYP2A6GPR3CTNNB1 | |
| Benzothiophene SCHEMBL29415494 | 0.97 | — | — | |
| Benzothiophene SCHEMBL7023 | 0.97 | — | — | |
| Benzothiophene SCHEMBL451494 | 0.97 | — | — | |
| Benzothiophene SCHEMBL29383883 | 0.97 | — | — | |
| Benzothiophene SCHEMBL253491 | 0.97 | CA12 (0.42) | CA12CA9CYP2A6GPR3CTNNB1 | |
| Benzothiophene SCHEMBL28399890 | 0.97 | CA12 (0.42) | CA12CA9CYP2A6GPR3CTNNB1 | |
| Naphthalene SCHEMBL23236453 | 0.94 | CYP2A6 (0.44) | CA12CA9CYP2A6GPR3CTNNB1 | |
| Benzothiophene SCHEMBL2495738 | 0.94 | CA12 (0.41) | CA12CA9CYP2A6GPR3CTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116768951-A | DNA encoding compound containing aromatic nitrogen-containing skeleton, synthesis method thereof and DNA encoding compound library | 苏州阿尔脉生物科技有限公司 | 2023-09-19 | — | — | CN | disclosed |
| US-11161824-B2 | Heterocyclic lipoxin analogs and uses thereof | UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) | 2021-11-02 | — | — | US | disclosed |
| EP-3500559-B1 | HETEROCYCLIC LIPOXIN ANALOGS AND USES THEROF | UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) | 2021-06-16 | — | — | EP | disclosed |
| US-20210053927-A1 | Heterocyclic Lipoxin Analogs and Uses Thereof | UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) | 2021-02-25 | — | — | US | disclosed |
| EP-3500559-A1 | HETEROCYCLIC LIPOXON ANALOGS AND USES THEROF | University College Dublin (IE) | 2019-06-26 | — | — | EP | disclosed |
| WO-2018033642-A9 | HETEROCYCLIC LIPOXIN ANALOGS AND USES THEREOF | UNIVERSITY COLLEGE DUBLIN (IE) | 2018-10-18 | — | — | WO | disclosed |
| WO-2018033642-A1 | HETEROCYCLIC LIPXON ANALOGS AND USES THEROF | UNIVERSITY COLLEGE DUBLIN (IE) | 2018-02-22 | — | — | WO | disclosed |
| US-20120129828-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. | 2012-05-24 | — | — | US | disclosed |
| WO-2009154780-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | 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 (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-20120129828-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | S1PR1, S1PR5, S1PR2 | CA12 4575/4885CA9 4457/4885CYP2A6 2648/4885 |
| US-11161824-B2 | Heterocyclic lipoxin analogs and uses thereof | LTB4R2, ALOX12, ALOX15B | CA12 4828/4885CA9 4800/4885CYP2A6 973/4885 |
| US-20210053927-A1 | Heterocyclic Lipoxin Analogs and Uses Thereof | LTB4R2, ALOX12, ALOX15B | CA12 4828/4885CA9 4800/4885CYP2A6 973/4885 |
“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.