SCHEMBL5246328

SCHEMBL5246328

O=C(O)COCCCC(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
EPHX2 P34913 1/20 0.34
CYP2C19 P33261 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5350330 0.96 MEN1 (0.38) CES2MEN1KMT2AHDAC1HDAC2
SCHEMBL5358419 0.96 MEN1 (0.38) CES2MEN1KMT2AHDAC1HDAC2
SCHEMBL5245265 0.92 CES2 (0.46) CES2MEN1KMT2AHDAC1HDAC2
SCHEMBL27297810 0.85 CES2 (0.41) CES2HDAC1HDAC2EPHX2CYP2C19
SCHEMBL5251554 0.81 ALDH1A1 (0.50) MEN1KMT2AHDAC1HDAC2TSHR
SCHEMBL10001230 0.77 CES2 (0.46) CES2HDAC1HDAC2EPHX2CYP2C19
SCHEMBL936619 0.76 CES2 (0.35) CES2HDAC1HDAC2EPHX2TSHR
SCHEMBL5356441 0.75 BLM (0.33) CES2TSHRSMN1; SMN2CTHCBS
SCHEMBL5346360 0.75 BLM (0.33) CES2TSHRSMN1; SMN2CTHCBS
SCHEMBL23405410 0.74 CES2 (0.44) CES2HDAC1HDAC2EPHX2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195752-B2 Surfactant compounds and uses thereof GLAXO GROUP LIMITED (GB) 2007-03-27 US 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-1411896-B1 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LTD (GB) 2006-03-22 EP 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

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 1646/4885MEN1 1157/4885KMT2A 4559/4885

“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.