Acetic Acid

Acetic Acid

SCHEMBL5196852

CC(=O)O.Cc1ccccsc(C)c(C)c1C

nearest known ligand 0.40

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
GAA P10253 4/20 0.40
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
AKR1B10 O60218 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
DHFR P00374 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL752673 0.88 TSHR (0.41) GAAMAPTTP53ALOX15HSD17B10
Maleic Acid SCHEMBL5198470 0.88 HCAR2 (0.42) GAAMAPTTP53ALOX15HSD17B10
Phthalic Acid SCHEMBL5198532 0.88 KMT2A (0.47) ALOX15HSD17B10ALDH1A1CTNNB1WNT3A
Fumaric Acid SCHEMBL5198477 0.88 HCAR2 (0.42) GAAMAPTTP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL31150435 0.86 TSHR (0.39) GAAMAPTTP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL154108 0.86 TSHR (0.39) GAAMAPTTP53ALOX15HSD17B10
Water SCHEMBL5196978 0.86 TSHR (0.39) GAAMAPTTP53ALOX15HSD17B10
Sulfuric Acid SCHEMBL2110043 0.85 GAA (0.36) GAAMAPTTP53ALOX15HSD17B10
Formic Acid SCHEMBL5197972 0.85 ALDH1A1 (0.36) GAAMAPTTP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL3327763 0.84 TSHR (0.38) GAAMAPTTP53ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100564341-C Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2009-12-02 CN claimed
US-7220879-B2 Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM AND HAAS COMPANY (US) 2007-05-22 US claimed
EP-1647543-B1 A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS (US) 2007-05-02 EP claimed
CN-1762965-A Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2006-04-26 CN claimed
EP-1647543-A1 A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor Rohm and Haas Company (US) 2006-04-19 EP claimed
US-20060074257-A1 Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor BASS STEPHEN 2006-04-06 US claimed
CN-101168623-B Method for inhibiting polymerization of (meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS 2012-12-05 CN disclosed
CN-100564341-C Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2009-12-02 CN disclosed
CN-101168623-A Method for inhibiting polymerization of (meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS (US) 2008-04-30 CN disclosed
US-20070197785-A1 METHOD FOR INHIBITING POLYMERIZATION OF (METH) ACRYLIC ACID AND ITS ESTERS USING AN INHIBITOR AND A PROCESS FOR MAKING A COMPOUND USEFUL AS SUCH AN INHIBITOR BASS STEPHEN 2007-08-23 US disclosed
US-7253279-B1 Method for inhibiting polymerization of (METH) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM AND HAAS COMPANY (US) 2007-08-07 US disclosed
US-7220879-B2 Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM AND HAAS COMPANY (US) 2007-05-22 US disclosed
EP-1647543-B1 A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor ROHM & HAAS (US) 2007-05-02 EP disclosed
CN-1762965-A Method for inhibiting polymerization of acrylic acid and esters thereof using inhibitor and process for preparing compounds useful as such inhibitor ROHM & HAAS (US) 2006-04-26 CN disclosed
EP-1647543-A1 A method for inhibiting polymerization of (Meth) acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor Rohm and Haas Company (US) 2006-04-19 EP disclosed
US-20060074257-A1 Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor BASS STEPHEN 2006-04-06 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 (2 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-20070197785-A1 METHOD FOR INHIBITING POLYMERIZATION OF (METH) ACRYLIC ACID AND ITS ESTERS USING AN INHIBITOR AND A PROCESS FOR MAKING A COMPOUND USEFUL AS SUCH AN INHIBITOR MMAB, AZI2, MEP1A GAA 95/4885MAPT 2212/4885TP53 4764/4885
US-20060074257-A1 Method for inhibiting polymerization of (meth)acrylic acid and its esters using an inhibitor and a process for making a compound useful as such an inhibitor MMAB, AZI2, MEP1A GAA 95/4885MAPT 2212/4885TP53 4764/4885

“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.