Acetic Acid

Acetic Acid

SCHEMBL871524

CC(=O)O.CCOC(=O)CCNC(=O)NC1CCN(c2ccc(C(=N)N)cc2)C1

nearest known ligand 0.64

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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 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.64
ITGA2B P08514 16/20 0.64
PRSS1 P07477 10/20 0.50
PRSS2 P07478 10/20 0.50
PRSS3 P35030 10/20 0.50
F10 P00742 6/20 0.47
PLG P00747 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
POLB P06746 1/20 0.41
F2 P00734 1/20 0.40
TPSAB1 Q15661 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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 SCHEMBL4426462 0.99 ITGB3 (0.63) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL29945 0.97 ITGB3 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7417473 0.81 ITGB3 (0.95) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL871101 0.80 ITGB3 (0.93) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7415135 0.78 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7854981 0.78 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7411884 0.75 ITGB3 (0.88) ITGB3ITGA2BPRSS1PRSS2PRSS3
Acetic Acid SCHEMBL7698285 0.74 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7444902 0.71 ITGB3 (0.86) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7418895 0.70 ITGB3 (0.71) ITGB3ITGA2BPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP claimed
EP-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
EP-1810693-A2 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions Shering Corporation (US) 2007-07-25 EP claimed
EP-1785144-A2 Combinations of bile acids sequestrant(s) and sterol absorption inhibitor(s) and treatments for vascular indications Shering Corporation (US) 2007-05-16 EP claimed
CN-1658903-A Combinations of peroxisome proliferator-activated receptor (ppar) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORP (US) 2005-08-24 CN claimed
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 EP claimed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US claimed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO claimed
EP-3782649-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2025-05-14 EP disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2023-04-20 US disclosed
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels ASCENDIS PHARMA A/S (DE) 2023-01-24 US disclosed
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 EP disclosed
WO-2002058732-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) ACTIVATOR(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058685-A2 COMBINATIONS OF NICOTINIC ACID AND DERIVATIVES THEREOF AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058733-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058696-A2 THE USE OF SUBSTITUTED AZETIDINONE COMPOUNDS FOR THE TREATMENT OF SITOSTEROLEMIA SCHERING CORPORATION (US) 2002-08-01 WO disclosed
EP-1080731-A2 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2001-03-07 EP 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 (5 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-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 ITGB3 1541/4885ITGA2B 2412/4885PRSS1 2845/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 ITGB3 1413/4885ITGA2B 605/4885PRSS1 1498/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 ITGB3 1980/4885ITGA2B 2036/4885PRSS1 398/4885
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels PLG, PHYKPL, PLOD3 ITGB3 1541/4885ITGA2B 2412/4885PRSS1 2845/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 ITGB3 1413/4885ITGA2B 605/4885PRSS1 1498/4885

“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.