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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 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 | |
|---|---|---|---|---|
| SCHEMBL785468 | 0.95 | HSD11B1 (0.41) | HSD11B1ASGR1BUB1NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL2401902 | 0.93 | HSD11B1 (0.40) | HSD11B1ASGR1BUB1NFKB1NFKB2 | |
| SCHEMBL14428327 | 0.88 | HSD11B1 (0.42) | HSD11B1ASGR1BUB1NFKB1NFKB2 | |
| SCHEMBL1318985 | 0.82 | HSD11B1 (0.39) | HSD11B1ASGR1BUB1NFKB1NFKB2 | |
| SCHEMBL65492 | 0.81 | SLC6A4 (0.42) | HSD11B1 | |
| SCHEMBL181909 | 0.81 | SLC6A4 (0.42) | HSD11B1 | |
| SCHEMBL1033810 | 0.81 | SLC6A4 (0.42) | HSD11B1 | |
| Hydrochloric Acid SCHEMBL25408690 | 0.80 | SLC6A4 (0.41) | HSD11B1 | |
| Ammonia Solution, Strong SCHEMBL19410295 | 0.80 | SLC6A4 (0.41) | HSD11B1 | |
| Hydrochloric Acid SCHEMBL31485474 | 0.80 | SLC6A4 (0.41) | HSD11B1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586589-B2 | Piperidine and piperazine phenyl sulfonamides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-19 | — | — | US | disclosed |
| US-20130035310-A1 | Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-07 | — | — | US | disclosed |
| US-8309587-B2 | Piperidine and piperazine phenyl sulphonamides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-13 | — | — | US | disclosed |
| US-20120178713-A1 | PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-8163720-B2 | Pyrrolidinyl phenyl sulphonamides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2308872-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| US-20110082117-A1 | PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-07 | — | — | US | disclosed |
| US-7799822-B2 | Phenyl sulfonamides as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-21 | — | — | US | disclosed |
| EP-1963281-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| US-20080027067-A1 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-31 | — | — | US | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | 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 (4 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-20120178713-A1 | PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS | TRPV1, TRPA1, TRPV5 | HSD11B1 4611/4885ASGR1 4766/4885BUB1 3700/4885 |
| US-20080027067-A1 | Heterocyclic derivatives as modulators of ion channels | TRPV1, KCNJ2, KCNN3 | HSD11B1 4240/4885ASGR1 4683/4885BUB1 1930/4885 |
| US-20110082117-A1 | PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS | TRPV1, KCNJ2, TRPA1 | HSD11B1 4575/4885ASGR1 4669/4885BUB1 3470/4885 |
| US-20130035310-A1 | Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels | TRPV1, TRPV5, TRPA1 | HSD11B1 4854/4885ASGR1 4798/4885BUB1 3843/4885 |
“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.