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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.81 |
| ▸ | S1PR3 | Q99500 | 10/20 | 0.81 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL2987514 | 0.99 | S1PR1 (0.83) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2994838 | 0.94 | S1PR1 (0.91) | S1PR1S1PR3S1PR5KCNH2 | |
| Hydrochloric Acid SCHEMBL2994159 | 0.94 | S1PR1 (0.90) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2995426 | 0.92 | S1PR1 (0.72) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2989736 | 0.90 | S1PR1 (0.72) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2121313 | 0.90 | S1PR1 (1.00) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL3068572 | 0.90 | S1PR1 (0.82) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2121392 | 0.89 | S1PR1 (0.98) | S1PR1S1PR3S1PR5KCNH2 | |
| Hydrochloric Acid SCHEMBL2122826 | 0.89 | S1PR1 (0.98) | S1PR1S1PR3S1PR5KCNH2 | |
| SCHEMBL2121404 | 0.89 | S1PR1 (0.98) | S1PR1S1PR3S1PR5KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222669-B1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LTD (GB) | 2013-08-21 | — | — | EP | disclosed |
| US-8222245-B2 | Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) | GLAXO GROUP LIMITED (GB) | 2012-07-17 | — | — | US | disclosed |
| US-20100273771-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LIMITED (GB) | 2010-10-28 | — | — | US | disclosed |
| EP-2222669-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | Glaxo Group Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| US-20100174065-A1 | COMPOUNDS | GLAXO GROUP LIMITED (US) | 2010-07-08 | — | — | US | disclosed |
| WO-2009080725-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | 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-20100174065-A1 | COMPOUNDS | CYP11B2, CYP11B1, GLS2 | S1PR1 2320/4885S1PR3 1694/4885S1PR5 1843/4885 |
| US-20100273771-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | S1PR3, S1PR1, S1PR2 | S1PR1 2/4885S1PR3 1/4885S1PR5 6/4885 |
“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.