Acetic Acid

Acetic Acid

SCHEMBL1746327

CC(=O)O.CC(=O)O.CC(=O)O.CC(C)(C)[C@]1(c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)cc4)cc3F)[nH]2)CCCN1C(=O)O

nearest known ligand 0.35

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 7)

geneUniProtsupporting neighboursconfidence
SSTR3 known ✓ P32745 1/20 0.31
PRCP P42785 7/20 0.35
HPGDS O60760 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1745776 0.96 PRCP (0.34) PRCPHPGDS
SCHEMBL1745558 0.90 PRCP (0.37) PRCPHPGDSSSTR3CYP1A2CYP3A4
SCHEMBL15673755 0.90 PRCP (0.37) PRCPHPGDSSSTR3CYP1A2CYP3A4
Acetic Acid SCHEMBL1746999 0.84 PRCP (0.41) PRCPSSTR3CYP3A4CYP2C9
Acetic Acid SCHEMBL4980229 0.80 PRCP (0.51) PRCPCYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL3344304 0.78 PRCP (0.38) PRCPSSTR3CYP3A4CYP2C9
SCHEMBL12175283 0.78 MAPK13 (0.40) PRCPHPGDSSSTR3
SCHEMBL13635780 0.78 MAPK13 (0.40) PRCPHPGDSSSTR3
SCHEMBL18171455 0.77 CYP3A4 (0.63) PRCPCYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL1746326 0.77 PRCP (0.47) PRCPHPGDSCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385048-A1 Hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110252687-A1 Canting Vertical Fore Grip with Bipod GRIP POD SYSTEMS, LLC 2011-10-20 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-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SSTR3 4672/4885PRCP 190/4885HPGDS 582/4885

“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.