Acetic Acid

Acetic Acid

SCHEMBL21994473

CC(=O)O.CCOC(=O)C(CC1CCNCC1)C(=O)OCC

nearest known ligand 0.45

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
CPN1 P15169 2/20 0.45
CPB2 Q96IY4 2/20 0.45
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
GABRA5 P31644 3/20 0.36
GABRB2 P47870 3/20 0.36
SLC6A1 P30531 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRR1 P24046 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
OPRM1 P35372 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL11320136 0.95 CPN1 (0.45) CPN1CPB2SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL28598539 0.93 CPN1 (0.44) CPN1CPB2SLC6A2SLC6A3SLC6A4
SCHEMBL10589008 0.83 SLC6A1 (0.46) CPN1CPB2SLC6A2SLC6A3SLC6A4
SCHEMBL9219750 0.82 L3MBTL1 (0.41) ALOX15L3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL24239364 0.82 CPN1 (0.38) CPN1CPB2SLC6A2SLC6A3SLC6A4
SCHEMBL21564359 0.80 CPN1 (0.44) CPN1CPB2SLC6A2SLC6A3SLC6A4
SCHEMBL25381770 0.79 L3MBTL1 (0.39) SLC6A2SLC6A3SLC6A4ALOX15TSHR
SCHEMBL1009487 0.79 L3MBTL1 (0.39) TSHRL3MBTL1ALDH1A1LMNAHSD17B10
SCHEMBL16732371 0.79 METAP2 (0.40) SLC6A2SLC6A3SLC6A4TSHRL3MBTL1
Hydrochloric Acid SCHEMBL29890856 0.79 CPN1 (0.42) CPN1CPB2SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502393-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2025-12-23 US disclosed
US-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-02-03 US disclosed
EP-3887376-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF Topadur Pharma AG (CH) 2021-10-06 EP disclosed
CN-113166157-A Novel double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2021-07-23 CN disclosed
WO-2020109354-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2020-06-04 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 (2 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-12502393-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof PDE9A, PDE2A, PDE5A CPN1 1201/4885CPB2 1272/4885SLC6A2 1361/4885
US-20220031704-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE9A, PDE5A, PDE2A CPN1 1312/4885CPB2 1273/4885SLC6A2 1659/4885

“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.