Acetic Acid

Acetic Acid

SCHEMBL310269

CC(=O)O.CCOc1cc(C2CCNCC2)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.41

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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 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ALK Q9UM73 1/20 0.41
PTK2 Q05397 4/20 0.40
FLT4 P35916 3/20 0.40
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CAMK2D Q13557 2/20 0.38
CSF1R P07333 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA2 P17301 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
EGFR P00533 1/20 0.37
CCR5 P51681 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
FGFR1 P11362 1/20 0.36

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
SCHEMBL13226155 0.97 ALK (0.42) BRD4ALKPTK2FLT4CYP2C9
SCHEMBL13981695 0.77 QDPR (0.54) CYP2C9CSF1RITGB3ITGA2BITGA2
SCHEMBL310145 0.77 INSR (0.44) PTK2FLT4CAMK2DCSF1RTLR9
SCHEMBL10290737 0.76 CCR5 (0.41) ALKPTK2FLT4CAMK2DEGFR
SCHEMBL10257451 0.75 CAMK2D (0.40) ALKPTK2FLT4CAMK2DEGFR
SCHEMBL1781826 0.74 HTR2C (0.47) ALKCAMK2DTLR9TLR8TLR7
Acetic Acid SCHEMBL310381 0.71 HTT (0.42) ALKCYP2C9CYP1A2CYP2C19EGFR
SCHEMBL6698284 0.70 NAMPT (0.56)
SCHEMBL2910211 0.69 CSF1R (0.60) CYP2C9CYP2C19CSF1R
SCHEMBL3093595 0.69 CSF1R (0.62) CYP2C9CYP2C19CSF1RITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 BRD4 495/4885ALK 144/4885PTK2 368/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 BRD4 495/4885ALK 144/4885PTK2 368/4885

“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.