SCHEMBL5245265

SCHEMBL5245265

O=C(O)COCCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CES1 P23141 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G4B P0C869 2/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL5246328 0.92 CES2 (0.40) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL5358419 0.89 MEN1 (0.38) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL5350330 0.89 MEN1 (0.38) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL5251554 0.81 ALDH1A1 (0.50) HDAC1HDAC2MEN1KMT2AALDH1A1
SCHEMBL18660231 0.81 CES2 (0.50) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL7713583 0.81 CES2 (0.50) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL22922164 0.79 CES2 (0.48) CES2CYP2C19EPHX2MEN1KMT2A
SCHEMBL26633456 0.78 MEN1 (0.39) CES2HDAC1HDAC2MEN1KMT2A
SCHEMBL10001230 0.78 CES2 (0.46) CES2CYP2C19HDAC1HDAC2EPHX2
SCHEMBL27297810 0.78 CES2 (0.41) CES2CYP2C19HDAC1HDAC2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486203-B1 Surfactant compounds and uses thereof GLAXO GROUP LTD (GB) 2007-09-19 EP claimed
US-7195752-B2 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2007-03-27 US claimed
EP-1684721-A2 AEROSOL FORMULATIONS COMPRISING A CARBOXYLIC ACID SURFACTANT GLAXO GROUP LIMITED (GB) 2006-08-02 EP claimed
WO-2005065650-A2 AEROSOL FORMULATIONS COMPRISING A CARBOXYLIC ACID SURFACTANT GLAXO GROUP LIMITED (GB) 2005-07-21 WO claimed
EP-1486203-A2 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2004-12-15 EP claimed
US-20040234556-A1 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2004-11-25 US claimed
EP-1411896-A2 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-04-28 EP claimed
WO-2003013610-A2 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LIMITED (GB) 2003-02-20 WO claimed
EP-1486203-B1 Surfactant compounds and uses thereof GLAXO GROUP LTD (GB) 2007-09-19 EP disclosed
US-7195752-B2 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2007-03-27 US disclosed
EP-1684721-A2 AEROSOL FORMULATIONS COMPRISING A CARBOXYLIC ACID SURFACTANT GLAXO GROUP LIMITED (GB) 2006-08-02 EP disclosed
EP-1411896-B1 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LTD (GB) 2006-03-22 EP disclosed
WO-2005065650-A2 AEROSOL FORMULATIONS COMPRISING A CARBOXYLIC ACID SURFACTANT GLAXO GROUP LIMITED (GB) 2005-07-21 WO disclosed
EP-1486203-A2 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2004-12-15 EP disclosed
US-20040234556-A1 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2004-11-25 US disclosed
EP-1411896-A2 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-04-28 EP disclosed
WO-2003013610-A2 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LIMITED (GB) 2003-02-20 WO 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-20040234556-A1 Surfactant compounds and uses thereof PFN1, SGMS1, SPTLC1 CES2 1646/4885CYP2C19 1929/4885HDAC1 2954/4885

“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.