Acetic Acid

Acetic Acid

SCHEMBL1844530

CC(=O)[O-].CC(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.80

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
CA1 P00915 2/20 0.80
CA4 P22748 3/20 0.54
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.42
FFAR3 O14843 2/20 0.42
THPO P40225 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
FAHD1 Q6P587 1/20 0.39
ALDH1A1 P00352 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33

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 SCHEMBL11766349 1.00 CA1 (0.80) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL29424258 0.95 CA1 (0.73) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL4346332 0.95 CA1 (0.73) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL28859803 0.95 CA1 (0.82) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL11768103 0.95 CA1 (0.82) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL586756 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL27628723 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL23872 0.95
Acetic Acid SCHEMBL2407889 0.95 CA1 (0.89) CA1CA4LMNATSHRFFAR3
Acetic Acid SCHEMBL7594137 0.91 CA1 (0.75) CA1CA4LMNATSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288416-B2 Substituted piperidinophenyl oxazolidinones WOCKHARDT LTD. (IN) 2012-10-16 US disclosed
EP-2069339-B1 SUBSTITUTED PIPERIDINOPHENYL OXAZOLIDINONES WOCKHARDT RESEARCH CENTER (IN) 2011-05-18 EP disclosed
US-20100120721-A1 SUBSTITUTED PIPERIDINOPHENYL OXAZOLIDINONES WOCKHARDT RESEARCH CENTRE (IN) 2010-05-13 US disclosed
EP-2069339-A2 SUBSTITUTED PIPERIDINOPHENYL OXAZOLIDINONES Wockhardt Research Centre (IN) 2009-06-17 EP disclosed
EP-1940316-A2 PRESSURE ATTENUATION DEVICE Solace Therapeutics, Inc. (US) 2008-07-09 EP disclosed
WO-2007038476-A9 PRESSURE ATTENUATION DEVICE ATTENEUX TECHNOLOGIES INC (US) 2008-04-03 WO disclosed
WO-2008038092-A2 SUBSTITUTED PIPERIDINOPHENYL OXAZOLIDINONES WOCKHARDT RESEARCH CENTRE (IN) 2008-04-03 WO disclosed
WO-2007038476-A2 PRESSURE ATTENUATION DEVICE ATTENEUX TECHNOLOGIES, INC. (US) 2007-04-05 WO disclosed
EP-0837703-A4 APPARATUS FOR CONTROLLED FLUID DELIVERY RIVER MEDICAL INC (US) 1999-08-25 EP disclosed
EP-0837703-A1 APPARATUS FOR CONTROLLED FLUID DELIVERY RIVER MEDICAL, INC. (US) 1998-04-29 EP disclosed
WO-1997002849-A1 APPARATUS FOR CONTROLLED FLUID DELIVERY RIVER MEDICAL, INC. (US) 1997-01-30 WO disclosed
EP-0748252-A1 GAS DELIVERY APPARATUS AND COMPOSITIONS FOR INFUSION RIVER MEDICAL, INC. (US) 1996-12-18 EP disclosed
WO-1995023641-A1 GAS DELIVERY APPARATUS AND COMPOSITIONS FOR INFUSION RIVER MEDICAL, INC. (US) 1995-09-08 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 (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-20100120721-A1 SUBSTITUTED PIPERIDINOPHENYL OXAZOLIDINONES CYP2C19, ALPI, CYP3A7 CA1 4512/4885CA4 2300/4885LMNA 4092/4885

“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.