SCHEMBL3826164

SCHEMBL3826164

O=CCC(CC(=O)O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
CNR2 P34972 1/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CTSA P10619 5/20 0.40
GAA P10253 1/20 0.40
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MIF P14174 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
SCHEMBL18683363 0.83 EEF2K (0.46) EEF2KMEN1KMT2AGABBR2GABBR1
SCHEMBL27684813 0.80 CTSA (0.37) MEN1KMT2AGABBR2GABBR1CTSA
SCHEMBL7423595 0.79 GABBR2 (0.61) MEN1KMT2AGABBR2GABBR1FNTA
SCHEMBL5685248 0.78 EEF2K (0.50) EEF2KMEN1KMT2AGABBR2GABBR1
SCHEMBL31520095 0.78 CNR2 (0.43) EEF2KMEN1KMT2ACNR2CES2
SCHEMBL29090661 0.76 LMNA (0.39) EEF2KMEN1KMT2AGAAFNTA
SCHEMBL31378978 0.75 CES2 (0.44) MEN1KMT2ACNR2CES2CES1
SCHEMBL8770868 0.75 CES2 (0.49) EEF2KMEN1KMT2ACNR2CES2
SCHEMBL27509080 0.75 FFAR1 (0.44) MEN1KMT2AGABBR2GABBR1FNTA
SCHEMBL10078181 0.74 GABBR2 (0.50) MEN1KMT2AGABBR2GABBR1GAA

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
CN-101479241-A Pyrrole derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 EEF2K 2110/4885MEN1 3728/4885KMT2A 3325/4885

“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.