Acetic Acid

Acetic Acid

SCHEMBL7814560

CC(=O)O.Cc1cccc2nc(-c3cn(CCCN)c4cc(OCc5ccccc5)ccc34)c(=O)[nH]c12

nearest known ligand 0.39

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
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CAMK2D Q13557 4/20 0.37
IGF1R P08069 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MGLL Q99685 2/20 0.36
MMP13 P45452 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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 SCHEMBL7806990 0.94 PDE4B (0.38) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7817718 0.89 CAMK2D (0.39) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7654019 0.87 EGLN1 (0.40) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7815433 0.87 PPARG (0.40) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7658784 0.86 CHEK1 (0.37) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7817844 0.86 CAMK2D (0.48) CAMK2D
Acetic Acid SCHEMBL7837822 0.85 CHEK1 (0.38) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7817717 0.85 EGLN1 (0.40) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL7815404 0.85 MMP13 (0.41) PPARGPPARDPPARACAMK2DIGF1R
Acetic Acid SCHEMBL8368547 0.84 EGLN1 (0.48) CAMK2DIGF1RMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010025043-A1 New pharmaceutical active compounds ASTRA AKTIEBOLAG, A SWEDEN CORPORATION 2001-09-27 US disclosed
US-6271231-B1 Pharmaceutically active compounds ASTRA AKTIEBOLAG (SE) 2001-08-07 US disclosed
EP-0929551-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (publ) (SE) 1999-07-21 EP disclosed
WO-1998013368-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-04-02 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-20010025043-A1 New pharmaceutical active compounds CSNK1A1, CSNK1G1, CSNK2A1 PPARG 1726/4885PPARD 3007/4885PPARA 2806/4885

“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.