Acetic Acid

Acetic Acid

SCHEMBL2680690

CC(=O)O.O=C(Nc1ccc(C(F)(F)F)cc1C1CCN(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.42

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 10)

geneUniProtsupporting neighboursconfidence
SSTR5 known ✓ P35346 1/20 0.39
F10 P00742 8/20 0.42
HIF1A Q16665 3/20 0.41
EPAS1 Q99814 3/20 0.41
HDAC1 Q13547 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRAF P15056 2/20 0.39
LMNA P02545 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL2681885 0.97 F10 (0.44) F10HIF1AEPAS1MEN1KMT2A
Hydrochloric Acid SCHEMBL2681741 0.96 F10 (0.43) F10HIF1AEPAS1MEN1KMT2A
SCHEMBL2680721 0.92 HIF1A (0.42) F10HIF1AEPAS1MEN1KMT2A
SCHEMBL1034169 0.90 HIF1A (0.51) F10HIF1AEPAS1SSTR5
SCHEMBL2681756 0.87 F10 (0.44) F10SSTR5MCHR1
SCHEMBL4401608 0.87 F10 (0.44) F10HDAC1MCHR1
SCHEMBL12153653 0.86 MCHR1 (0.44) F10HIF1AEPAS1MEN1KMT2A
SCHEMBL1031737 0.84 HIF1A (0.51) HIF1AEPAS1SSTR5MCHR1
SCHEMBL15943296 0.84 MEN1 (0.38) F10HDAC1MEN1KMT2A
SCHEMBL2680858 0.83 MEN1 (0.38) F10HDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451801-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-13 EP disclosed
US-8586593-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-11-19 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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 (1 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-20120115884-A1 INSECTICIDAL COMPOUNDS ACHE, C1R, C5 SSTR5 2176/4885F10 1116/4885HIF1A 4471/4885

“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.