Acetic Acid

Acetic Acid

SCHEMBL22028362

CC(=O)O.CCOC(=O)C[C@H]1CNC[C@H](CC(=O)OCC)N1C

nearest known ligand 0.35

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
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TRPA1 O75762 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 SCHEMBL22028294 1.00 MGAM (0.35) MGAMGAASIMGAM2POLB
SCHEMBL22065518 0.95 GAA (0.39) MGAMGAASIMGAM2POLB
SCHEMBL69766 0.79 GAA (0.43) MGAMGAASIMGAM2POLB
Acetic Acid SCHEMBL20569024 0.78 OPRD1 (0.35) ALDH1A1GABRA1GABRB2LMNAHSD17B10
Acetic Acid SCHEMBL20568175 0.78 OPRD1 (0.35) ALDH1A1GABRA1GABRB2LMNAHSD17B10
SCHEMBL2917564 0.76 POLB (0.39) MGAMGAASIMGAM2POLB
SCHEMBL70066 0.76 KMT2A (0.41) MGAMGAASIMGAM2POLB
SCHEMBL30823676 0.75 SLC6A1 (0.41) GABRA1GABRB2HSD17B10KMT2AKDM4E
SCHEMBL2919713 0.74 POLB (0.40) POLBSMN1; SMN2ALDH1A1GABRA1GABRG2
SCHEMBL3298172 0.73 GAA (0.44) MGAMGAASIMGAM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696376-A2 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF Topadur Pharma AG (CH) 2026-02-18 EP disclosed
EP-3630769-B1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2025-07-02 EP disclosed
US-20240360136-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2024-10-31 US disclosed
US-11905293-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2024-02-20 US disclosed
US-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-03-10 US disclosed
US-11155558-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2021-10-26 US disclosed
US-20200181149-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2020-06-11 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 (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-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE1A, PDE2A MGAM 1168/4885GAA 246/4885SI 378/4885
US-11155558-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof PDE7A, GNAO1, PDE3A MGAM 3675/4885GAA 3008/4885SI 2620/4885
US-20200181149-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE3A, PDE9A MGAM 3795/4885GAA 3136/4885SI 2677/4885
US-11905293-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof PDE5A, PDE1A, PDE2A MGAM 1168/4885GAA 246/4885SI 378/4885
US-20240360136-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE1A, PDE2A MGAM 1168/4885GAA 246/4885SI 378/4885

“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.