Acetic Acid

Acetic Acid

SCHEMBL2579094

CC(=O)O.NCc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

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 3)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 16/20 0.72
▸ SLC5A1 P13866 11/20 0.70
▸ SLC28A3 Q9HAS3 2/20 0.56

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2582707 0.93 SLC5A2 (0.78) SLC5A2SLC5A1SLC28A3
SCHEMBL2574076 0.87 SLC5A2 (0.76) SLC5A2SLC5A1SLC28A3
SCHEMBL1037900 0.86 SLC5A2 (0.81) SLC5A2SLC5A1
SCHEMBL2575165 0.86 SLC5A2 (0.81) SLC5A2SLC5A1
SCHEMBL3996755 0.86 SLC5A2 (0.73) SLC5A2SLC5A1SLC28A3
SCHEMBL2575033 0.86 SLC5A2 (0.73) SLC5A2SLC5A1SLC28A3
SCHEMBL10822009 0.85 SLC5A2 (0.79) SLC5A2SLC5A1
SCHEMBL2577445 0.85 SLC5A2 (0.72) SLC5A2SLC5A1SLC28A3
SCHEMBL3998355 0.85 SLC5A2 (0.72) SLC5A2SLC5A1SLC28A3
SCHEMBL4350700 0.84 SLC5A2 (1.00) SLC5A2SLC5A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 — — US disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 — — US disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 — — EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 SLC5A2 3/4885SLC5A1 1/4885SLC28A3 1666/4885

“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.

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