Acetic Acid

Acetic Acid

SCHEMBL585968

CC(=O)O.CC(OCC(=O)O)C(=O)O

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
CYP1A2 P05177 2/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
RNPEP Q9H4A4 1/20 0.30

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
SCHEMBL2600786 0.95 TSHR (0.38) TSHRCTHCBSTHPOCYP1A2
SCHEMBL6645229 0.83 TSHR (0.36) TSHRCTHCBSTHPOCYP1A2
SCHEMBL29016903 0.83 TDP1 (0.36) CYP1A2TP53ALDH1A1GAACYP2C9
SCHEMBL29016960 0.83 TDP1 (0.36) CYP1A2TP53ALDH1A1GAACYP2C9
SCHEMBL7159806 0.83 TDP1 (0.36) CYP1A2TP53ALDH1A1GAACYP2C9
SCHEMBL1025317 0.79 TSHR (0.34) TSHRTP53
SCHEMBL29016906 0.79 TSHR (0.34) TSHRTP53
SCHEMBL29016924 0.79 TSHR (0.34) TSHRTP53
SCHEMBL11658193 0.76 GABRR1 (0.34) TP53KMT2A
SCHEMBL31634142 0.74 TSHR (0.40) TSHRCYP1A2TP53ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006002031-A1 SUSTAINED RELEASE DOSAGE FORMS ANDRX CORPORATION (US) 2006-01-05 WO claimed
US-20050276849-A1 Sustained release dosage forms ANDRX CORPORATION 2005-12-15 US claimed
US-9504640-B2 Modified release formulations of a bupropion salt VALEANT PHARMACEUTICALS LUXEMBOURG S.Á.R.L. (LU) 2016-11-29 US disclosed
US-20150283092-A1 DRUG DELIVERY COMPOSITION ALKERMES PHARMA IRELAND LTD (IE) 2015-10-08 US disclosed
US-20150202147-A1 Modified Release Formulations Of A Bupropion Salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-07-23 US disclosed
US-8932628-B2 Modified release formulations of a bupropion salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-01-13 US disclosed
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS VALEANT LABORATORIES INTERNATIONAL BERMUDA (BM) 2014-08-28 US disclosed
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS VALEANT INTERNATIONAL BERMUDA (BM) 2014-06-19 US disclosed
US-20140030249-A1 Pharmaceutical Compositions VALEANT INTERNATIONAL BERMUDA (BM) 2014-01-30 US disclosed
US-8604085-B2 Bupropion hydrobromide polymorphs VALEANT INTERNATIONAL BERMUDA (BM) 2013-12-10 US disclosed
US-20130266650-A1 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS JACKSON GRAHAM (BB) 2013-10-10 US disclosed
US-4256108-A Microporous-semipermeable laminated osmotic system ALZA CORPORATION (US) 1981-03-17 US disclosed
US-4200098-A Osmotic system with distribution zone for dispensing beneficial agent ALZA CORPORATION (US) 1980-04-29 US disclosed
US-4160452-A Osmotic system having laminated wall comprising semipermeable lamina and microporous lamina ALZA CORPORATION (US) 1979-07-10 US disclosed
US-4160020-A CELLULOSE ESTERS, CELLULOSE ETHERS ALZA CORPORATION (US) 1979-07-03 US disclosed
US-4116241-A FOR CONTROLLED ORAL ADMINISTRATION OF DRUG ALZA CORPORATION (US) 1978-09-26 US disclosed
US-4077407-A POLYSACCHARIDES ALZA CORPORATION (US) 1978-03-07 US disclosed
US-4058122-A Osmotic system with laminated wall formed of different materials ALZA CORPORATION (US) 1977-11-15 US disclosed
US-4014334-A Laminated osmotic system for dispensing beneficial agent ALZA CORPORATION (US) 1977-03-29 US disclosed
US-4008719-A Osmotic system having laminar arrangement for programming delivery of active agent ALZA CORPORATION (US) 1977-02-22 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 (5 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-20150202147-A1 Modified Release Formulations Of A Bupropion Salt SLC6A2, SLC6A3, SLC6A11 TSHR 1186/4885CTH 1013/4885CBS 1192/4885
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 TSHR 3352/4885CTH 543/4885CBS 1251/4885
US-20140030249-A1 Pharmaceutical Compositions HTT, ATXN10, TTR TSHR 117/4885CTH 1509/4885CBS 992/4885
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS HTT, ATXN10, TTR TSHR 117/4885CTH 1509/4885CBS 992/4885
US-20130266650-A1 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS GABBR1, SLC6A2, GABBR2 TSHR 1150/4885CTH 208/4885CBS 840/4885

“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.