Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | NOTCH1 | P46531 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL2131139 | 1.00 | ALDH1A1 (0.36) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL12730845 | 0.87 | SMN1; SMN2 (0.37) | ALDH1A1MAPTPTPN1ADRB3ADRA2B | |
| SCHEMBL2843887 | 0.83 | POLB (0.37) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL6760115 | 0.83 | POLB (0.37) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL8238400 | 0.83 | POLB (0.37) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL2843889 | 0.83 | POLB (0.37) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL12792428 | 0.82 | ADRB3 (0.40) | ALDH1A1MAPTADRB3ADRA2BADRA2C | |
| SCHEMBL14020643 | 0.82 | POLB (0.38) | ALDH1A1MAPTPTPN1PTPN6PTPN11 | |
| SCHEMBL2135272 | 0.80 | ADRB3 (0.39) | ALDH1A1ADRB3ADRA2BADRA2CSMN1; SMN2 | |
| SCHEMBL2135279 | 0.80 | ADRB3 (0.39) | ALDH1A1ADRB3ADRA2BADRA2CSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493506-B2 | Macrocyclic hepatitis C serine protease inhibitors | ABBVIE INC. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20140287992-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ABBOTT LABORATORIES | 2014-09-25 | — | — | US | disclosed |
| US-8748374-B2 | Macrocyclic hepatitis C serine protease inhibitors | ABBVIE, INC. (US) | 2014-06-10 | — | — | US | disclosed |
| EP-2576564-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | Abbvie Inc. (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20120101031-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2012-04-26 | — | — | US | disclosed |
| WO-2011156337-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 2011-12-15 | — | — | 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-20120101031-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | TMPRSS15, PRSS1, SPINT2 | ALDH1A1 1994/4885MAPT 3207/4885PTPN1 1774/4885 |
| US-20140287992-A1 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | TMPRSS15, PRSS1, SPINT2 | ALDH1A1 1994/4885MAPT 3207/4885PTPN1 1774/4885 |
“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.