Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 SCHEMBL927068 | 0.97 | FFAR3 (0.50) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetone SCHEMBL5888753 | 0.90 | LMNA (0.43) | FFAR3LCKFYNALDH1A1TSHR | |
| Bicarbonate SCHEMBL28464828 | 0.86 | ALDH1A1 (0.41) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL2254617 | 0.85 | FFAR3 (0.39) | FFAR3LCKFYNALDH1A1TSHR | |
| Hydrogen Peroxide SCHEMBL20917732 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1 | |
| 1,3-Propanediol SCHEMBL7184545 | 0.81 | TDP1 (0.39) | FFAR3LCKFYNGAATDP1 | |
| Methacrylic Acid SCHEMBL16337114 | 0.79 | ALDH1A1 (0.38) | FFAR3LCKFYNALDH1A1TSHR | |
| Acetic Acid SCHEMBL29079454 | 0.79 | MAPK1 (0.36) | FFAR3LCKFYNTSHR | |
| Methyl Alcohol SCHEMBL1172804 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1 | |
| Methane SCHEMBL30637 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7417140-B2 | 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure | PFIZER INC. (US) | 2008-08-26 | — | — | US | disclosed |
| US-7414127-B2 | used to prepare eplerenone; intermediates | PFIZER INC. (US) | 2008-08-19 | — | — | US | disclosed |
| EP-1487859-B1 | PROCESS TO PREPARE EPLERENONE | PHARMACIA & UPJOHN CO LLC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7411062-B2 | 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone | PFIZER INC. (US) | 2008-08-12 | — | — | US | disclosed |
| EP-1539795-B1 | CRYSTALLINE 17BETA-HYDROXY-7ALPHA-(5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE | PHARMACIA & UPJOHN CO LLC (US) | 2007-10-31 | — | — | EP | disclosed |
| US-7235655-B2 | Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol | PHARMACIA & UPJOHN COMPANY (US) | 2007-06-26 | — | — | US | disclosed |
| US-20070129332-A1 | Processes to prepare eplerenone | PHARMACIA & UPJOHN COMPANY | 2007-06-07 | — | — | US | disclosed |
| US-20070123704-A1 | 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone | PHARMACIA & UPJOHN COMPANY | 2007-05-31 | — | — | US | disclosed |
| US-20070117780-A1 | 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure | PHARMACIA & UPJOHN COMPANY | 2007-05-24 | — | — | US | disclosed |
| US-20070106072-A1 | 7a-Furyl or thienyl-substituted steroid compounds | PHARMACIA & UPJOHN COMPANY | 2007-05-10 | — | — | US | disclosed |
| US-20070100140-A1 | used to prepare eplerenone; intermediates | PHARMACIA & UPJOHN COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-7112670-B2 | intermediates to produce the pharmaceutically useful compound eplerenone | PHARMACIA CORPORATION (US) | 2006-09-26 | — | — | US | disclosed |
| EP-1539795-A1 | CRYSTALLINE 17BETA-HYDROXY-7ALPHA-(5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE | Pharmacia & Upjohn Company LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1487859-A2 | PROCESS TO PREPARE EPLERENONE | PHARMACIA & UPJOHN COMPANY (US) | 2004-12-22 | — | — | EP | disclosed |
| US-20040127702-A1 | intermediates to produce the pharmaceutically useful compound eplerenone | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | disclosed |
| WO-2004037844-A1 | CRYSTALLINE 17BETA-HYDROXY-7ALPHA- (5'-METHYL-2'-FURYL)-PREGNA-4,9(11)-DIEN-3-ONE-21-CARBOXYLIC ACID, GAMMA-LACTONE | PHARMACIA & UPJOHN COMPANY (US) | 2004-05-06 | — | — | WO | disclosed |
| US-20030232981-A1 | Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol | PHARMACIA & UPJOHN COMPANY | 2003-12-18 | — | — | US | disclosed |
| WO-2003082895-A2 | PROCESS TO PREPARE EPLERENONE | PHARMACIA & UPJOHN COMPANY (US) | 2003-10-09 | — | — | 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 (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-20070100140-A1 | used to prepare eplerenone; intermediates | CYP11B2, CYP11B1, HSD17B7 | FFAR3 1087/4885LCK 4728/4885FYN 4178/4885 |
| US-20070117780-A1 | 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure | HSD17B7, HSD11B1, HSD11B2 | FFAR3 530/4885LCK 4750/4885FYN 4196/4885 |
| US-20070123704-A1 | 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone | HSD17B7, HSD11B1, HSD17B11 | FFAR3 380/4885LCK 4809/4885FYN 4356/4885 |
| US-20040127702-A1 | intermediates to produce the pharmaceutically useful compound eplerenone | HSD17B7, CYP11B1, CYP17A1 | FFAR3 233/4885LCK 4718/4885FYN 3750/4885 |
| US-20070106072-A1 | 7a-Furyl or thienyl-substituted steroid compounds | NR3C2, HSD17B7, CYP11B1 | FFAR3 516/4885LCK 3995/4885FYN 2905/4885 |
| US-20030232981-A1 | Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol | NR3C2, HSD3B2, HSD11B2 | FFAR3 538/4885LCK 3478/4885FYN 1835/4885 |
| US-20070129332-A1 | Processes to prepare eplerenone | HSD17B7, CYP11B2, CYP4A11 | FFAR3 1105/4885LCK 4676/4885FYN 3640/4885 |
“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.