Acetic Acid

Acetic Acid

SCHEMBL25029

CC(=O)O.O=C(O)c1cc(Br)ccc1O

nearest known ligand 0.64

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 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
CASP1 P29466 2/20 0.64
CYP2C19 P33261 2/20 0.64
CES2 O00748 1/20 0.64
GALR3 O60755 1/20 0.64
CYP1A2 P05177 1/20 0.64
CSNK2A1 P68400 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PTGS2 P35354 2/20 0.55
CA12 O43570 1/20 0.55
ALOX5 P09917 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 1/20 0.55
GSTA1 P08263 3/20 0.55

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 SCHEMBL29404037 1.00 CYP2C9 (0.64) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL30352763 0.94 CYP2C9 (0.72) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL129669 0.94 CYP2C9 (0.72) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL9487167 0.92 CYP2C9 (0.69) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL309016 0.83 HPGD (0.69) CYP2C9HPGDALOX15CASP1CYP2C19
1,4-Butanediol SCHEMBL11023193 0.83 CYP2C9 (0.58) CYP2C9HPGDALOX15CASP1CYP2C19
Acetic Acid SCHEMBL27571040 0.80 GSTA1 (0.47) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL5888486 0.80 HPGD (0.64) CYP2C9HPGDALOX15CASP1CYP2C19
Gentisic Acid SCHEMBL4923463 0.79 CA1 (0.87) CYP2C9HPGDALOX15CASP1CYP2C19
SCHEMBL29355897 0.79 CES2 (1.00) CYP2C9HPGDALOX15CASP1CYP2C19

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 1072 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841066-B1 ANTI-INFLUENZA AGENT CONJUGATED TO ANTI-INFLAMMATORY AGENT ACADEMIA SINICA (TW) 2021-02-17 EP claimed
US-10758626-B2 Polymer conjugate comprising a bioactive agent POLYACTIVA PTY LTD (AU) 2020-09-01 US claimed
EP-3524272-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY Academia Sinica (TW) 2019-08-14 EP claimed
US-20180303948-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2018-10-25 US claimed
EP-3347052-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT Polyactiva Pty Ltd (AU) 2018-07-18 EP claimed
US-9968684-B2 Polymer-NSAID conjugate POLYACTIVA PTY LTD (AU) 2018-05-15 US claimed
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP claimed
WO-2017041142-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-03-16 WO claimed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 US claimed
US-20150150999-A1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2015-06-04 US claimed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US claimed
WO-2004005313-A2 HYBRID MOLECULES OF MACROLIDES WITH STEROID/NON-STEROID ANTI-INFLAMMATORY, ANTINEOPLASTIC AND ANTIVIRAL ACTIVE MOLECULES PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (US) 2004-01-15 WO claimed
WO-2004005309-A2 NOVEL NONSTEROIDAL ANTI-INFLAMMATORY SUBSTANCES, COMPOSITIONS AND METHODS FOR THEIR USE PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (US) 2004-01-15 WO claimed
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery MCNEIL-PPC, INC 2003-12-25 US claimed
US-20030180357-A1 Pharmaceutical tablet MCNEIL-PPC, INC 2003-09-25 US claimed
CN-1433396-A Pharmaceutical compounds NICOX SA (FR) 2003-07-30 CN claimed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP claimed
CN-1358178-A Pharmaceutical compounds NICOX SA (FR) 2002-07-10 CN claimed
CN-1354740-A Pharmaceutical compounds NICOX SA (FR) 2002-06-19 CN claimed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030180357-A1 Pharmaceutical tablet GYPA, SORD, SRI CYP2C9 168/4885HPGD 313/4885ALOX15 829/4885
US-20150150999-A1 POLYMER-NSAID CONJUGATE PTGS1, PTGES3, PTGES CYP2C9 193/4885HPGD 36/4885ALOX15 24/4885
US-10758626-B2 Polymer conjugate comprising a bioactive agent MSN, PAM, PARG CYP2C9 963/4885HPGD 100/4885ALOX15 24/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 CYP2C9 56/4885HPGD 1309/4885ALOX15 437/4885
US-20180303948-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT MSN, PAM, PARG CYP2C9 963/4885HPGD 100/4885ALOX15 24/4885
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery SI, UGGT1, GYPA CYP2C9 104/4885HPGD 188/4885ALOX15 335/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS CYP2C9 294/4885HPGD 7/4885ALOX15 230/4885

“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.