Acetic Acid Phenyl Ester

Acetic Acid Phenyl Ester

SCHEMBL4054587

CC(=O)Oc1ccccc1.OBO

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.64
MAPT P10636 5/20 0.60
GAA P10253 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HSP90AA1 P07900 1/20 0.60
LMNA P02545 3/20 0.56
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 2/20 0.52
BACE1 P56817 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48

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 Phenyl Ester SCHEMBL35500 0.93 ELANE (0.72) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL6422166 0.93 ELANE (0.72) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL1404134 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL181469 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL534929 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL11483885 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL388843 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL9154639 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL4343067 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1
Acetic Acid Phenyl Ester SCHEMBL1309661 0.91 ELANE (0.69) ELANEMAPTGAAALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP disclosed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP disclosed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN ELANE 4050/4885MAPT 868/4885GAA 3078/4885

“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.