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 | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 10/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1922946 | 0.96 | SCD (0.47) | SCDKDM4ELMNASMN1; SMN2GBA1 | |
| SCHEMBL15579416 | 0.85 | SCD (0.48) | SCDKDM4ELMNASMN1; SMN2GBA1 | |
| SCHEMBL2296174 | 0.84 | SCD (0.55) | SCDDCTPP1CYP2C9CYP2C19HTR2B | |
| SCHEMBL1922734 | 0.84 | SCD (0.48) | SCDKDM4ELMNASMN1; SMN2GBA1 | |
| SCHEMBL1094784 | 0.83 | SCD (0.61) | SCDKDM4ELMNASMN1; SMN2GBA1 | |
| SCHEMBL1922252 | 0.80 | MEN1 (0.46) | SCDLMNACYP2C9 | |
| SCHEMBL517909 | 0.79 | SCD (0.51) | SCDKDM4ELMNASMN1; SMN2DCTPP1 | |
| SCHEMBL8083811 | 0.79 | SCD (0.63) | SCDDCTPP1 | |
| SCHEMBL2295686 | 0.79 | SCD (0.51) | SCDKDM4ELMNASMN1; SMN2GBA1 | |
| SCHEMBL518633 | 0.77 | CYP2C9 (0.53) | SCDLMNAGBA1DCTPP1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8673917-B2 | 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors | SANOFI (FR) | 2014-03-18 | — | — | US | disclosed |
| US-20120028986-A1 | 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS | SANOFI-AVENTIS (FR) | 2012-02-02 | — | — | US | 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-20120028986-A1 | 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS | SCD, SCD5, PC | SCD 1/4885KDM4E 1312/4885LMNA 830/4885 |
“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.