Acetic Acid

Acetic Acid

SCHEMBL810924

CC(=O)O.NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)O

nearest known ligand 0.61

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 12)

geneUniProtsupporting neighboursconfidence
GHSR known ✓ Q92847 1/20 0.38
SLC15A2 Q16348 1/20 0.61
GNPAT O15228 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
ECE1 P42892 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
FOLH1 Q04609 1/20 0.37
ERAP2 Q6P179 3/20 0.36
LNPEP Q9UIQ6 3/20 0.36
ERAP1 Q9NZ08 1/20 0.35
F2 P00734 1/20 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 SCHEMBL27535790 1.00 SLC15A2 (0.61) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL8832939 0.97 SLC15A2 (0.64) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL5598418 0.97 SLC15A2 (0.64) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL259084 0.97 SLC15A2 (0.64) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL259085 0.97 SLC15A2 (0.64) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL10595108 0.97 SLC15A2 (0.64) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL4589903 0.96 SLC15A2 (0.63) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL2817828 0.96 SLC15A2 (0.63) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL29473319 0.96 SLC15A2 (0.63) SLC15A2GNPATGHSRSLC6A5ECE1
SCHEMBL4589314 0.96 SLC15A2 (0.63) SLC15A2GNPATGHSRSLC6A5ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4608341-A IMMUNOASSAY INTERTHYR RESEARCH FOUNDATION, INC. (US) 1986-08-26 US claimed
US-11478523-B2 Oriental medicine composition effective for thyroid hormone level normalization KIM, HYONG JUN (KR) 2022-10-25 US disclosed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY 2012-09-20 US disclosed
US-8202692-B2 Expression profile of thyroid cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20100055704-A1 EXPRESSION PROFILE OF THYROID CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 US disclosed
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER OHIO UNIVERSITY 2010-01-07 US disclosed
US-7598052-B2 Expression profile of thyroid cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-06 US disclosed
US-5871950-A SUPPRESSION OF MAJOR HISTOCOMPATIBILITY COMPLEX TO CONTROL IMMUNE RESPONSE OF CELLS SINGER DINAH S (US) 1999-02-16 US disclosed
EP-0880701-A1 METHODS OF ASSESSING MHC CLASS I EXPRESSION AND PROTEINS CAPABLE OF MODULATING CLASS I EXPRESSION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-12-02 EP disclosed
WO-1997007404-A1 METHODS OF ASSESSING MHC CLASS I EXPRESSION AND PROTEINS CAPABLE OF MODULATING CLASS I EXPRESSION THE GOVERMENT OF THE UNITED STATES OF AMERICA reprsented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-02-27 WO disclosed
US-5556754-A MAJOR HISTOCOMPATIBILITY COMPLEX, TREATMENT OF AUTOIMMUNE DISEASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-09-17 US disclosed
EP-0702554-A1 USE OF AN MHC CLASS I SUPPRESSOR DRUG FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND TRANSPLANTATION REJECTION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by the Secretary, Department of Health and Human Services (US) 1996-03-27 EP disclosed
WO-1994028897-A2 USE OF AN MHC CLASS I SUPPRESSOR DRUG FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND TRANSPLANTATION REJECTION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-12-22 WO disclosed
US-4609622-A Clinical determination and/or quantification of thyrotropin and a variety of thyroid stimulatory or inhibitory factors performed in vitro with an improved thyroid cell line, FRTL-5 INTERTHYR RESEARCH FOUNDATION INC. (US) 1986-09-02 US disclosed
US-4608341-A IMMUNOASSAY INTERTHYR RESEARCH FOUNDATION, INC. (US) 1986-08-26 US disclosed
US-4178359-A Immunoassay method HOFFMANN-LA ROCHE INC. (US) 1979-12-11 US disclosed
US-4178360-A Radiolabelled rubella virus and method HOFFMANN-LA ROCHE INC. (US) 1979-12-11 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 (3 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-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression IRF3, TLR3, TLR4 GHSR 2105/4885SLC15A2 1774/4885GNPAT 3762/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 GHSR 2105/4885SLC15A2 1774/4885GNPAT 3762/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 GHSR 847/4885SLC15A2 4036/4885GNPAT 3360/4885

“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.