SCHEMBL1850858

SCHEMBL1850858

C=CC(O)CNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DNM1 Q05193 1/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 3/20 0.45
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
MAOA P21397 1/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 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
SCHEMBL10403337 0.83 ANPEP (0.53) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL10403145 0.81 ALDH1A1 (0.47) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL5219600 0.80 ANPEP (0.46) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL1848295 0.79 ALDH1A1 (0.49) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL6379919 0.79 MEN1 (0.52) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL7095555 0.78 BCHE (0.60) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL893963 0.78 BCHE (0.63) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL7089480 0.78 BCHE (0.60) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL4154642 0.78 MEN1 (0.56) ANPEPALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL20012355 0.78 ALDH1A1 (0.47) ANPEPALDH1A1CYP1A2CYP2D6MEN1

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 ANPEP 1790/4885ALDH1A1 1367/4885CYP1A2 1113/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS ANPEP 1594/4885ALDH1A1 1500/4885CYP1A2 838/4885

“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.