Acetic Acid

Acetic Acid

SCHEMBL1338393

CC(=O)O.NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.74

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 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.74
MAOA P21397 7/20 0.74
PTGS1 P23219 2/20 0.74
SDHA P31040 2/20 0.74
LMNA P02545 1/20 0.74
CALML3 P27482 1/20 0.74
F10 P00742 4/20 0.60

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
Acetic Acid SCHEMBL1338391 1.00 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5513933 0.94 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
SCHEMBL1336215 0.94 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
SCHEMBL76846 0.94 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
SCHEMBL29439547 0.94 MAOB (0.69) MAOBMAOAPTGS1SDHALMNA
Linezolid SCHEMBL2322867 0.86 MAOB (0.89) MAOBMAOAPTGS1SDHALMNA
SCHEMBL1498726 0.85 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28425877 0.85 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL28425878 0.85 MAOB (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL12126903 0.85 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658789-B2 Method for preparing linezolid and intermediates thereof LIANHE CHEMICAL TECHNOLOGY CO., LTD. (CN) 2014-02-25 US disclosed
EP-2388251-B1 METHOD FOR PREPARING LINEZOLID AND INTERMEDIATES THEREOF LIANHE CHEMICAL TECHNOLOGY CO LTD (CN) 2013-08-28 EP disclosed
EP-2388251-A1 METHOD FOR PREPARING LINEZOLID AND INTERMEDIATES THEREOF Lianhe Chemical Technology Co., Ltd. (CN) 2011-11-23 EP disclosed
US-20110275805-A1 METHOD FOR PREPARING LINEZOLID AND INTERMEDIATES THEREOF LIANHE CHEMICAL TECHNOLOGY CO., LTD. (CN) 2011-11-10 US disclosed
US-8038543-B2 Golf swing training device CAPESIUS DEAN C 2011-10-18 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275805-A1 METHOD FOR PREPARING LINEZOLID AND INTERMEDIATES THEREOF HDAC9, KAT5, ACMSD MAOB 2466/4885MAOA 2149/4885PTGS1 3624/4885

“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.