SCHEMBL5281523

SCHEMBL5281523

CS(=O)(=O)OCCc1ccc(OCCOCc2cccc(C#N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
FFAR4 Q5NUL3 3/20 0.51
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
KCNH2 Q12809 1/20 0.39
GRM5 P41594 2/20 0.39
REN P00797 1/20 0.38
GLA P06280 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL5290604 0.87 GLA (0.43) FFAR1FFAR4MAOBMAOAADAMTS4
SCHEMBL5277439 0.83 CA1 (0.49) FFAR1FFAR4
SCHEMBL17784702 0.83 GLA (0.49) FFAR1FFAR4MAOBMAOAKCNH2
SCHEMBL6163401 0.82 FFAR1 (0.46) FFAR1FFAR4MAOBMAOAADAMTS4
SCHEMBL4156612 0.81 FFAR1 (0.57) FFAR1FFAR4MAOBMAOAKCNH2
SCHEMBL4158480 0.81 FFAR1 (0.54) FFAR1FFAR4MAOBMAOAKCNH2
SCHEMBL1228846 0.78 GLA (0.48) FFAR1FFAR4MAOBMAOAADAMTS4
SCHEMBL20551473 0.76 MRGPRX4 (0.53) FFAR1FFAR4MAOBMAOAKCNH2
SCHEMBL24041771 0.75 CA1 (0.53) FFAR1KCNH2
SCHEMBL2961510 0.75 CYP2A6 (0.46) MAOBMAOAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD FFAR1 1108/4885FFAR4 1470/4885MAOB 371/4885

“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.