Acetic Acid

Acetic Acid

SCHEMBL5227791

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)CCC(C(=O)OCC)(C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.47

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 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TSHR P16473 2/20 0.30
PAM P19021 2/20 0.30
FAAH O00519 2/20 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
Acetic Acid SCHEMBL7220949 0.96 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18104018 0.96 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL168910 0.96 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL560522 0.96 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL3191369 0.96 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18104054 0.94 MEN1 (0.47) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL821391 0.91 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL739576 0.90 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL215134 0.86 ATM (0.47) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL6697326 0.86 MEN1 (0.49) MEN1MAPTKMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532123-B1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2007-08-15 EP disclosed
CN-1324017-C Process for preparing 5-(1, 3-oxazol-2-yl) benzoic acid derivatives PHARMACIA & UPJOHN CO LLC (US) 2007-07-04 CN disclosed
US-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-7115747-B2 Process for preparing oxazole intermediates PHARMACIA & UPJOHN COMPANY (US) 2006-10-03 US disclosed
CN-1662510-A Process for the preparation of 5- (1, 3-oxazol-2-yl) benzoic acid derivatives PHARMACIA & UPJOHN CO LLC (US) 2005-08-31 CN disclosed
EP-1532123-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040063965-A1 Process for preparing oxazole intermediates PHARMACEIA & UPJOHN 2004-04-01 US disclosed
WO-2004000821-A1 PROCESS FOR PREPARING 5-(1, 3-OXAZOL-2-YL) BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-12-31 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 (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-20040063965-A1 Process for preparing oxazole intermediates PSEN1, SOD1, OXA1L MEN1 2001/4885MAPT 101/4885KMT2A 2663/4885
US-20070105921-A1 Process for Preparing Oxazole Intermediates OXA1L, SOD1, PSEN1 MEN1 1653/4885MAPT 204/4885KMT2A 2600/4885

“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.