Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Thiophene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL755556 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Acetic Acid SCHEMBL29616843 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28167483 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28550995 | 0.97 | LCK (0.47) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL502436 | 0.97 | — | — | |
| Thiophene SCHEMBL28856570 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL27618627 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL28330481 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL27849176 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 | |
| Thiophene SCHEMBL27698822 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNCES2CES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456440-B1 | QUINOLINONE PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2015-08-19 | — | — | EP | disclosed |
| US-8680116-B2 | Quinolinone PDE2 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-03-25 | — | — | US | disclosed |
| EP-2456440-A1 | QUINOLINONE PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-05-30 | — | — | EP | disclosed |
| US-20120115885-A1 | Quinolinone PDE2 Inhibitors | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| WO-2011011312-A1 | QUINOLINONE PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-01-27 | — | — | 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 (1 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-20120115885-A1 | Quinolinone PDE2 Inhibitors | PDE12, PDE2A, PDE4A | FFAR3 2674/4885LCK 3532/4885FYN 2004/4885 |
“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.