SCHEMBL5290604

SCHEMBL5290604

CS(=O)(=O)OCCOCc1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
FFAR1 O14842 4/20 0.42
FFAR4 Q5NUL3 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
NR3C1 P04150 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
GRM5 P41594 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
HTR6 P50406 2/20 0.38
KCNH2 Q12809 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
SCHEMBL5281523 0.87 FFAR1 (0.51) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL1228846 0.87 GLA (0.48) GLAFFAR1FFAR4MRGPRX4NR3C1
SCHEMBL20551473 0.85 MRGPRX4 (0.53) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL17784702 0.84 GLA (0.49) GLAFFAR1FFAR4MRGPRX4NR3C1
SCHEMBL5319833 0.82 CYP2A6 (0.42) MAOB
SCHEMBL2773842 0.81 GLA (0.48) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL30807351 0.81 GLA (0.48) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL5986932 0.79 MRGPRX4 (0.48) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL5317470 0.78 IDO1 (0.47) MAOBMAOA
SCHEMBL29265687 0.78 IDO1 (0.47) FFAR1FFAR4MAOBMAOA

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 6 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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO 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 GLA 1452/4885FFAR1 1108/4885FFAR4 1470/4885

“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.