SCHEMBL5428145

SCHEMBL5428145

O=C(O)Cc1cccc(S(=O)(=O)C2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
HTR2A P28223 3/20 0.44
DRD2 P14416 1/20 0.44
AKR1C3 P42330 2/20 0.43
KCNH2 Q12809 2/20 0.43
HTR2C P28335 1/20 0.43
AKR1B1 P15121 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NAMPT P43490 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
CYP3A4 P08684 2/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
HTR1B P28222 2/20 0.40
KIF18A Q8NI77 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL5429963 0.83 DRD2 (0.47) FFAR4HTR2ADRD2AKR1C3KCNH2
SCHEMBL5425859 0.81 ADRB2 (0.46) FFAR4HTR2ADRD2AKR1C3KCNH2
SCHEMBL18383378 0.80 AKR1C3 (0.48) HTR2ADRD2AKR1C3KCNH2HTR2C
SCHEMBL2651365 0.78 MEP1B (0.44) FFAR4HTR2AKCNH2HTR2CAKR1B1
SCHEMBL5442995 0.78 ADRB2 (0.49) FFAR4HTR2ADRD2KCNH2HTR2C
SCHEMBL2566589 0.78 HTR6 (0.56) FFAR4HTR2ADRD2KCNH2HTR2C
SCHEMBL30921570 0.77 AKR1C3 (0.68) AKR1C3EPHX2
SCHEMBL2566255 0.77 AKR1C3 (0.68) AKR1C3EPHX2
SCHEMBL16799946 0.77 AKR1B1 (0.42) AKR1B1EGFRERBB2PTGDR2KIF18A
SCHEMBL2566586 0.77 DRD2 (0.47) HTR2ADRD2KCNH2HTR2CNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 FFAR4 604/4885HTR2A 109/4885DRD2 254/4885

“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.