Acetic Acid

Acetic Acid

SCHEMBL16049910

CC(=O)O.CCN(CC)CCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl

nearest known ligand 0.71

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
▸ METTL3 Q86U44 2/20 0.71
▸ PTGS2 P35354 14/20 0.62
▸ MEN1 O00255 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ AKR1B10 O60218 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ TTR P02766 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ FABP2 P12104 1/20 0.58
▸ RXRA P19793 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ NR4A1 P22736 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ PDE4A P27815 1/20 0.58
▸ AKR1C3 P42330 1/20 0.58
▸ NR4A2 P43354 1/20 0.58
▸ AKR1C2 P52895 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58

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
SCHEMBL29481381 0.97 METTL3 (0.76) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL4434232 0.97 METTL3 (0.76) METTL3PTGS2MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL2582024 0.96 METTL3 (0.74) METTL3PTGS2MEN1MAPK1KMT2A
Meclofenamic Acid SCHEMBL28346421 0.89 PTGS2 (0.67) METTL3PTGS2MEN1MAPK1KMT2A
Acetic Acid SCHEMBL28298024 0.87 CLCN2 (0.53) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL23386249 0.84 METTL3 (1.00) METTL3PTGS2MEN1MAPK1KMT2A
Acetic Acid SCHEMBL28343515 0.83 PTGS2 (0.72) METTL3PTGS2MEN1MAPK1KMT2A
Terofenamate SCHEMBL16760954 0.82 METTL3 (0.79) METTL3PTGS2MEN1MAPK1KMT2A
Terofenamate SCHEMBL21834998 0.82 METTL3 (0.78) METTL3PTGS2MEN1MAPK1KMT2A
SCHEMBL10529901 0.81 METTL3 (0.80) METTL3PTGS2MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521305-A Novel high-penetration medicine for treating Parkinson's disease and medicine composition thereof 苏州泰飞尔医药有限公司 2021-03-19 — — CN claimed
CN-104706630-B Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates 于崇曦 2020-01-10 — — CN claimed
US-9718766-B2 High penetration drugs and their compositions thereof for treatment of parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2017-08-01 — — US claimed
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2016-01-07 — — US claimed
US-11685739-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2023-06-27 — — US disclosed
CN-112521305-B Novel high penetration drug for treating Parkinson disease and pharmaceutical composition thereof 苏州泰飞尔医药有限公司 2023-04-25 — — CN disclosed
CN-105820107-B Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and novel medical application thereof 泰飞尔公司 2022-09-09 — — CN disclosed
US-11084813-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2021-08-10 — — US disclosed
CN-112521305-A Novel high-penetration medicine for treating Parkinson's disease and medicine composition thereof 苏州泰飞尔医药有限公司 2021-03-19 — — CN disclosed
CN-105143174-B Novel high-penetration medicine for treating Parkinson's disease and medicine composition thereof 苏州泰飞尔医药有限公司 2021-01-12 — — CN disclosed
CN-104706630-B Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates 于崇曦 2020-01-10 — — CN disclosed
US-20170334908-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2017-11-23 — — US disclosed
US-9718766-B2 High penetration drugs and their compositions thereof for treatment of parkinson diseases TECHFIELDS PHARMA CO., LTD. (CN) 2017-08-01 — — US disclosed
EP-2994453-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES Techfields Pharma Co., Ltd. (CN) 2016-03-16 — — EP disclosed
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES PREMIER RESEARCH INTERNATIONAL, LLC 2016-01-07 — — US disclosed
WO-2014139161-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES TECHFIELDS PHARMA CO., LTD. (CN) 2014-09-18 — — 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 (4 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-20170334908-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 METTL3 4591/4885PTGS2 366/4885MEN1 3256/4885
US-11084813-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases ABCB1, PARK7, ABCG2 METTL3 4214/4885PTGS2 348/4885MEN1 2860/4885
US-20160002157-A1 NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES ABCB1, PARK7, SLC5A7 METTL3 4591/4885PTGS2 366/4885MEN1 3256/4885
US-11685739-B2 High penetration drugs and their compositions thereof for treatment of Parkinson diseases ABCB1, PARK7, ABCG2 METTL3 4214/4885PTGS2 348/4885MEN1 2860/4885

“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.

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