Acetic Acid

Acetic Acid

SCHEMBL7814532

CC(=O)O.Cc1ccc2[nH]c(=O)c(-c3cn(CCCN)c4ccc(OCc5ccccc5)cc34)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
TRPM8 Q7Z2W7 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CAMK2D Q13557 2/20 0.37
MAPT P10636 2/20 0.37
LTB4R Q15722 2/20 0.36
SRD5A2 P31213 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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 SCHEMBL7815433 0.94 PPARG (0.40) TRPM8GABRA1GABRG2GABRB3GABRA5
Acetic Acid SCHEMBL7814729 0.93 MMP13 (0.42) TRPM8PDE4BPDE4DKDM4ELMNA
Acetic Acid SCHEMBL7815908 0.92 CAMK2D (0.39) TRPM8CAMK2DLTB4RSRD5A2PDE4B
Acetic Acid SCHEMBL7658238 0.92 EGLN1 (0.40) TRPM8CAMK2DLTB4RSRD5A2EGFR
Acetic Acid SCHEMBL7657826 0.90 CHEK1 (0.39) TRPM8GABRA1GABRG2GABRB3GABRA5
Acetic Acid SCHEMBL7817644 0.90 EGLN1 (0.40) TRPM8CAMK2DLTB4RSRD5A2PDE4B
Acetic Acid SCHEMBL7657890 0.90 CHEK1 (0.39) TRPM8CAMK2DLTB4RSRD5A2PDE4B
Acetic Acid SCHEMBL7661589 0.88 IP6K1 (0.42) TRPM8CAMK2DLTB4RSRD5A2PDE4B
Acetic Acid SCHEMBL7657949 0.88 MC4R (0.38) MAPTSRD5A2EGFRIGF1RFLT4
Acetic Acid SCHEMBL7664666 0.88 MAOA (0.38) MAPTSRD5A2EGFRIGF1RFLT4

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 TRPM8 1793/4885GABRA1 2832/4885GABRG2 3709/4885

“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.