Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 4/20 | 0.41 |
| ▸ | WNT3A | P56704 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL27814303 | 0.89 | CTNNB1 (0.41) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL4378682 | 0.86 | CTNNB1 (0.46) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL28758675 | 0.86 | CTNNB1 (0.46) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL28223347 | 0.86 | CA12 (0.39) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL28545602 | 0.86 | CA12 (0.42) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL29383883 | 0.86 | — | — | |
| Benzothiophene SCHEMBL7023 | 0.86 | — | — | |
| Benzothiophene SCHEMBL29415494 | 0.86 | — | — | |
| Benzothiophene SCHEMBL28399890 | 0.86 | CA12 (0.42) | CTNNB1WNT3ACYP2A6PTPRCPTPN6 | |
| Benzothiophene SCHEMBL451494 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104328151-A | Method for producing benzothiophene ethanol by using cells as catalyst | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-02-04 | — | — | CN | disclosed |
| CN-104328151-A | Method for producing benzothiophene ethanol by using cells as catalyst | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-02-04 | — | — | CN | disclosed |
| EP-1334095-B1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO (JP) | 2005-01-19 | — | — | EP | disclosed |
| US-6713505-B2 | SUCH AS N-(2-((3-(AMINOOXOACETYL)-2-ETHYLBENZO(B)THIOPHEN-4-YL)OXY) ACETYL)GLYCINE; SECRETORY PHOSPHOLIPASE A2 (SPLA2) | ELI LILLY AND COMPANY | 2004-03-30 | — | — | US | disclosed |
| EP-1334095-A4 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6693203-B2 | REACTING NOPINONE ENOLATE WITH ALKYL 7-HALO-5-HEPTYNOATE, REACTING PRODUCT WITH HYDROXYLAMINE, TREATING WITH TITANIUM TRICHLORIDE AND BORANE REAGENT, HYDROGENATING, REACTING WITH 5-HYDROXY-4-BENZOTHIOPHENECARBOXYLIC ACID, HYDROLYZING | SHIONOGI & CO., LTD (JP) | 2004-02-17 | — | — | US | disclosed |
| US-20030236232-A1 | Novel spla2 inhibitors | ELI LILLY AND COMPANY | 2003-12-25 | — | — | US | disclosed |
| US-20030199702-A1 | Process for the preparation of pgd2 antagonist | LARSEN ROBERT (US) | 2003-10-23 | — | — | US | disclosed |
| EP-1334095-A1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2003-08-13 | — | — | EP | disclosed |
| WO-2002032892-A1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO., LTD (JP) | 2002-04-25 | — | — | 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 (2 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-20030236232-A1 | Novel spla2 inhibitors | PLA2G2E, PLA2G4B, PLA2G12A | CTNNB1 3960/4885WNT3A 4085/4885CYP2A6 1690/4885 |
| US-20030199702-A1 | Process for the preparation of pgd2 antagonist | PTGDR, PTGDR2, PTGER2 | CTNNB1 3408/4885WNT3A 2430/4885CYP2A6 227/4885 |
“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.