SCHEMBL1851333

SCHEMBL1851333

CCCC(CO)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
POLB P06746 2/20 0.44
CDK1 P06493 1/20 0.43
CDK5 Q00535 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
THRB P10828 1/20 0.41
IDO1 P14902 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPV3 Q8NET8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
MME P08473 1/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL12138912 1.00 SIGMAR1 (0.46) SIGMAR1POLBCDK1CDK5CD274
SCHEMBL1848754 0.90 TLR8 (0.46) SIGMAR1POLBCDK1CDK5
SCHEMBL27803762 0.89 SIGMAR1 (0.52) SIGMAR1POLBTHRBIDO1CYP3A4
SCHEMBL1846848 0.88 TLR2 (0.48) SIGMAR1POLBCDK1CDK5
SCHEMBL14169240 0.88 SIGMAR1 (0.45) SIGMAR1POLBTHRBIDO1CYP3A4
SCHEMBL10474662 0.88 SIGMAR1 (0.40) SIGMAR1POLBCDK1CDK5CD274
Hydrochloric Acid SCHEMBL10756071 0.87 SIGMAR1 (0.50) SIGMAR1POLBCYP3A4ACP3
SCHEMBL1847140 0.87 TLR2 (0.50) SIGMAR1CDK1CDK5
SCHEMBL1848612 0.87 TLR2 (0.50) SIGMAR1CDK1CDK5
SCHEMBL1846613 0.87 TLR2 (0.50) SIGMAR1CDK1CDK5

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 SIGMAR1 2031/4885POLB 404/4885CDK1 3818/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS SIGMAR1 1570/4885POLB 1165/4885CDK1 4154/4885

“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.