Acetic Acid

Acetic Acid

SCHEMBL584459

CC(=O)O.CN(C)S(=O)(=O)O

nearest known ligand 0.47

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 14)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL242727 0.86
Benzene SCHEMBL29962016 0.83 CA2 (0.38) CA1CA2F2PRSS1PRSS2
Benzene SCHEMBL8509063 0.83 CA2 (0.38) CA1CA2F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL3293798 0.82
Sulfuric Acid SCHEMBL7640374 0.78 FFAR3 (0.64) FFAR3LCKFYNCA1CA2
Sulfuric Acid SCHEMBL10378486 0.78 FFAR3 (0.64) FFAR3LCKFYNCA1CA2
Sulfuric Acid SCHEMBL282882 0.78
Sulfuric Acid SCHEMBL164130 0.78 FFAR3 (0.64) FFAR3LCKFYNCA1CA2
Sulfuric Acid SCHEMBL27833533 0.78 FFAR3 (0.64) FFAR3LCKFYNCA1CA2
Sulfuric Acid SCHEMBL28072247 0.78 FFAR3 (0.64) FFAR3LCKFYNCA1CA2

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-4116241-A FOR CONTROLLED ORAL ADMINISTRATION OF DRUG ALZA CORPORATION (US) 1978-09-26 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-4285987-A Process for manufacturing device with dispersion zone ALZA CORPORATION (US) 1981-08-25 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-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 (4 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 FFAR3 329/4885LCK 2714/4885FYN 1084/4885
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 FFAR3 1644/4885LCK 4332/4885FYN 1377/4885
US-20140030249-A1 Pharmaceutical Compositions HTT, ATXN10, TTR FFAR3 3650/4885LCK 1399/4885FYN 257/4885
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS HTT, ATXN10, TTR FFAR3 3650/4885LCK 1399/4885FYN 257/4885

“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.