SCHEMBL5247491

SCHEMBL5247491

O=C(O)CCCCCCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
ALDH1A1 P00352 4/20 0.45
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL5247186 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL848884 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL850125 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL865736 0.91 LMNA (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5679801 0.85 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5251554 0.85 ALDH1A1 (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL8817964 0.84 LMNA (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL26697618 0.84 MEN1 (0.49) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL26665132 0.84 MEN1 (0.49) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL26697569 0.84 MEN1 (0.49) TSHRLMNANFKB1PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411896-B1 SURFACTANT COMPOUNDS AND USES THEREOF GLAXO GROUP LTD (GB) 2006-03-22 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
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
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP 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 TSHR 3083/4885LMNA 836/4885NFKB1 2357/4885

“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.