Acetic Acid

Acetic Acid

SCHEMBL18318436

CC(=O)[O-].CC(=O)[O-].Cl.O=C(O)N1CCC(Oc2ccc(-c3ccn4ccnc4c3)cc2)CC1.[Pd+2]

nearest known ligand 0.44

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 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.44
EPHX2 P34913 5/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CHEK2 O96017 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NAMPT P43490 1/20 0.36
FDPS P14324 3/20 0.36
SCD5 Q86SK9 1/20 0.36
FAAH O00519 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL18322940 0.94 PIK3C3 (0.49) PIK3C3EPHX2HRH3CHEK2FDPS
Acetic Acid SCHEMBL30497916 0.88 GPR119 (0.48) PIK3C3HRH3CHEK2
SCHEMBL18322908 0.84 PIK3C3 (0.49) PIK3C3EPHX2HRH3CHEK2FDPS
Hydrochloric Acid SCHEMBL18318253 0.83 GPR119 (0.50) PIK3C3HRH3CHEK2
Hydrochloric Acid SCHEMBL18319008 0.82 PIK3C3 (0.46) PIK3C3EPHX2HRH3KMT2A
SCHEMBL28912555 0.82 GPR119 (0.51) PIK3C3HRH3CHEK2
SCHEMBL18319428 0.81 PIK3C3 (0.47) PIK3C3EPHX2HRH3KMT2A
Hydrochloric Acid SCHEMBL18318449 0.76 HRH3 (0.43) PIK3C3HRH3CHEK2IKBKB
SCHEMBL18322912 0.74 HRH3 (0.44) PIK3C3HRH3CHEK2IKBKB
SCHEMBL18319177 0.74 EPHX2 (0.40) EPHX2HRH3CYP4F2CYP4A11NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391723-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2023-12-07 US disclosed
US-11702388-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2023-07-18 US disclosed
US-20210230116-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2021-07-29 US disclosed
US-10851057-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2020-12-01 US disclosed
EP-3310441-B1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES 89BIO LTD (IL) 2020-07-29 EP disclosed
US-20190152913-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON LLC 2019-05-23 US disclosed
US-10221135-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2019-03-05 US disclosed
US-20180179159-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON LLC 2018-06-28 US disclosed
US-9902696-B2 1,4-substituted piperidine derivatives CEPHALON, INC. (US) 2018-02-27 US disclosed
US-20160368874-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON LLC 2016-12-22 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 (8 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-20190152913-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-20230391723-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-20160368874-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-20210230116-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-10221135-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-11702388-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-10851057-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A PIK3C3 3044/4885EPHX2 1352/4885HRH3 4067/4885
US-20180179159-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES FASN, CES1, CPT1A PIK3C3 3074/4885EPHX2 1374/4885HRH3 4144/4885

“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.