Acetic Acid

Acetic Acid

SCHEMBL455505

CC(=O)O.CC(=O)O.CC(=O)O.CC1CN(C(=O)O)CCN(C(=O)O)CCNCCN1C(=O)O

nearest known ligand 0.38

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
CHRNA3 known ✓ P32297 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CHKA P35790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL2060839 0.97 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7995036 0.83 TSHR (0.41) L3MBTL1MAPTTSHRLMNAALOX15
SCHEMBL4150920 0.83 TSHR (0.41) L3MBTL1MAPTTSHRLMNAALOX15
SCHEMBL17061936 0.81 TSHR (0.41) L3MBTL1MAPTTSHRLMNAALOX15
SCHEMBL21354258 0.81 TSHR (0.41) L3MBTL1MAPTTSHRLMNAALOX15
SCHEMBL17061934 0.81 TSHR (0.41) L3MBTL1MAPTTSHRLMNAALOX15
SCHEMBL8310805 0.76 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL6844025 0.75 CA2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL31040426 0.75 CA2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL6492067 0.75 CYP1A2 (0.36) HSD11B1MAPTLMNAHTT

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 US claimed
US-8636977-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2014-01-28 US claimed
US-20110070165-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO SUISSE SA (CH) 2011-03-24 US claimed
US-7749485-B2 Liposomal assembly for therapeutic and/or diagnostic use BRACCO RESEARCH S.A. (CH) 2010-07-06 US claimed
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications BRACCO IMAGING S.P.A. (IT) 2008-12-25 US claimed
EP-1587523-A4 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2008-10-22 EP claimed
EP-1853605-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS Bracco Imaging, S.P.A. (IT) 2007-11-14 EP claimed
US-7261876-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL BV (NL) 2007-08-28 US claimed
US-20070196284-A1 Liposomal assembly for therapeutic and/or diagnostic use BRACCO RESEARCH S.A. (CH) 2007-08-23 US claimed
US-7211240-B2 Multivalent constructs for therapeutic and diagnostic applications BRACCO INTERNATIONAL B.V. (NL) 2007-05-01 US claimed
WO-2006095234-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2006-09-14 WO claimed
WO-2005117832-A1 LIPOSOMAL ASSEMBLY FOR THERAPEUTIC AND/OR DIAGNOSTIC USE BRACCO RESEARCH SA (CH) 2005-12-15 WO claimed
EP-1587523-A2 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2005-10-26 EP claimed
JP-2005519980-A 2005-07-07 JP claimed
US-20050027105-A9 Multimeric proteins for use in the treatment and detection of cell proliferative disorders BRACCO SUISSE SA (CH) 2005-02-03 US claimed
EP-1482987-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2004-12-08 EP claimed
US-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders ARBOGAST CHRISTOPHE (FR) 2004-10-21 US claimed
WO-2004064595-A2 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL BV (NL) 2004-08-05 WO claimed
US-20040018974-A1 Multivalent constructs for therapeutic and diagnostic applications BRACCO SUISSE SA (CH) 2004-01-29 US claimed
WO-2003084574-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL BV (NL) 2003-10-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110070165-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS CD47, BCR, CD44 CHRNA3 3318/4885CHRNB2 3030/4885CHRNA4 4064/4885
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 CHRNA3 851/4885CHRNB2 572/4885CHRNA4 1320/4885
US-20050027105-A9 Multimeric proteins for use in the treatment and detection of cell proliferative disorders MKI67, TP53, VHL CHRNA3 4721/4885CHRNB2 4289/4885CHRNA4 4798/4885
US-20040018974-A1 Multivalent constructs for therapeutic and diagnostic applications CD47, BCR, CD44 CHRNA3 3318/4885CHRNB2 3030/4885CHRNA4 4064/4885
US-20080317668-A1 Integrin Targeted Synthetic Ligands for Diagnostic and Therapeutic Applications ITGA2B, ITGB2, ITGB1 CHRNA3 851/4885CHRNB2 572/4885CHRNA4 1320/4885
US-20040210041-A1 Multimeric proteins for use in the treatment and detection of cell proliferative disorders MKI67, TP53, VHL CHRNA3 4721/4885CHRNB2 4289/4885CHRNA4 4798/4885

“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.