Acetic Acid

Acetic Acid

SCHEMBL7815433

CC(=O)O.Cc1ccc2[nH]c(=O)c(-c3cn(CCCN)c4cc(OCc5ccccc5)ccc34)nc2c1

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
MC4R known ✓ P32245 1/20 0.35
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CAMK2D Q13557 3/20 0.37
MAPT P10636 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
MAOB P27338 1/20 0.36
SRD5A2 P31213 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 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 SCHEMBL7814532 0.94 TRPM8 (0.39) TRPM8CAMK2DMAPTGABRA1GABRG2
Acetic Acid SCHEMBL7815404 0.93 MMP13 (0.41) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7817718 0.92 CAMK2D (0.39) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7654019 0.92 EGLN1 (0.40) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7658784 0.90 CHEK1 (0.37) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7837822 0.90 CHEK1 (0.38) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7817717 0.90 EGLN1 (0.40) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7661364 0.88 IP6K1 (0.40) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7661729 0.88 MC4R (0.38) PPARGPPARDPPARATRPM8CAMK2D
Acetic Acid SCHEMBL7663916 0.88 MC4R (0.38) PPARGPPARDPPARATRPM8CAMK2D

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 2 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

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 MC4R 1132/4885PPARG 1726/4885PPARD 3007/4885

“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.