SCHEMBL6034233

SCHEMBL6034233

O=S(=O)(c1cc(F)c(B(O)O)cc1F)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.45
TSHR P16473 6/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
NPBWR1 P48145 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6034809 0.98 KDM4E (0.47) COMTTSHRKDM4EALDH1A1GAA
SCHEMBL28254881 0.81 TSHR (0.55) COMTTSHRKDM4EALDH1A1GAA
SCHEMBL6034241 0.77 PKM (0.58) COMTTSHRKDM4EALDH1A1GAA
SCHEMBL4464439 0.77 TSHR (0.50) COMTTSHRKDM4EALDH1A1GAA
SCHEMBL6035064 0.75 PKM (0.56) TSHRKDM4EALDH1A1GAANPBWR1
SCHEMBL4468528 0.73 TSHR (0.67) TSHRKDM4EALDH1A1GAANPBWR1
SCHEMBL519134 0.71 TSHR (0.67) TSHRALDH1A1GAACYP3A4CYP2C9
SCHEMBL2331757 0.71 TSHR (0.55) COMTTSHRKDM4EALDH1A1GAA
SCHEMBL15872028 0.71 TSHR (0.64) TSHRKDM4EALDH1A1GAACYP3A4
SCHEMBL22659006 0.71 KMT2A (0.50) TSHRCYP2C19MAPTPOLBMEN1

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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL COMT 628/4885TSHR 898/4885KDM4E 1319/4885

“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.