SCHEMBL4628305

SCHEMBL4628305

O=S(=O)(c1cccc(I)c1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.47
▸ AKR1C3 P42330 3/20 0.39
▸ KIF18A Q8NI77 8/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL14648626 0.79 LMNA (0.55) DRD2AKR1C3
SCHEMBL12334568 0.79 MBTD1 (0.49) DRD2AKR1C3KIF18AFFAR4HTR2A
SCHEMBL19707178 0.79 DRD2 (0.47) DRD2AKR1C3KIF18AFFAR4
SCHEMBL4015630 0.79 DRD2 (0.50) DRD2FFAR4HTR2AHTR2CKCNH2
SCHEMBL4628598 0.77 MBTD1 (0.48) DRD2AKR1C3KIF18AFFAR4
SCHEMBL14648627 0.77 LMNA (0.53) DRD2KIF18A
SCHEMBL777971 0.77 MAPT (0.56) DRD2AKR1C3HTR2AMAPTMMP8
SCHEMBL6095946 0.75 DRD2 (0.47) DRD2AKR1C3FFAR4HTR2AMAPT
SCHEMBL19707128 0.75 DRD2 (0.44) DRD2AKR1C3KIF18AFFAR4
SCHEMBL25483288 0.75 MEN1 (0.51) DRD2FFAR4HTR2AHTR2C

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
US-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 — — US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 — — EP disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 — — US disclosed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 — — US disclosed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 — — EP disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 — — 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 (2 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-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD DRD2 1699/4885AKR1C3 2479/4885KIF18A 1953/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 DRD2 254/4885AKR1C3 946/4885KIF18A 3383/4885

“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.

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