SCHEMBL1848754

SCHEMBL1848754

CCCCC(CO)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 1/20 0.46
CNR2 P34972 2/20 0.45
CDK1 P06493 1/20 0.45
CDK5 Q00535 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
TLR2 O60603 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 2/20 0.41
CTSK P43235 1/20 0.40
KCNH2 Q12809 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
SCHEMBL1846848 0.95 TLR2 (0.48) TLR8TLR7CNR2CDK1CDK5
SCHEMBL1846613 0.94 TLR2 (0.50) TLR8TLR7CNR2CDK1CDK5
SCHEMBL1848612 0.94 TLR2 (0.50) TLR8TLR7CNR2CDK1CDK5
SCHEMBL1847140 0.94 TLR2 (0.50) TLR8TLR7CNR2CDK1CDK5
SCHEMBL12138912 0.90 SIGMAR1 (0.46) CDK1CDK5SIGMAR1POLB
SCHEMBL1851333 0.90 SIGMAR1 (0.46) CDK1CDK5SIGMAR1POLB
SCHEMBL10474662 0.88 SIGMAR1 (0.40) TLR8TLR7CDK1CDK5SIGMAR1
SCHEMBL18741367 0.86 SIGMAR1 (0.50) CNR2SIGMAR1TLR2EPHX2POLB
SCHEMBL27919298 0.86 SIGMAR1 (0.46) CNR2SIGMAR1TLR2EPHX2POLB
SCHEMBL15304880 0.85 TLR2 (0.47) TLR2EPHX2POLB

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
CN-102186812-A Methods for preparing fluoroalkyl arylsulfinyl compounds and fluorinated compounds thereto UBE INDUSTRIES 2011-09-14 CN disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS TLR8 4108/4885TLR7 3499/4885CNR2 2286/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS TLR8 4282/4885TLR7 3665/4885CNR2 1427/4885

“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.