SCHEMBL1847862

SCHEMBL1847862

O=S(OCC(CF)OCc1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.31
IDO1 P14902 1/20 0.31
SLC6A4 P31645 2/20 0.31
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30

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
SCHEMBL13494418 0.80 MEN1 (0.32) KMT2AMEN1TDP1
SCHEMBL28324315 0.75 TSHR (0.46) KMT2ACYP1A2CYP2C19SLC6A2SLC6A3
SCHEMBL13318917 0.70 TSHR (0.34) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL11291017 0.69 DRD1 (0.35) TSHREPHX2ALDH1A1LMNA
SCHEMBL1848856 0.69 TSHR (0.34) CYP2D6SLC6A3TSHRHTTALDH1A1
SCHEMBL1846375 0.69 MEN1 (0.40) KMT2AMEN1MAPTTDP1TSHR
SCHEMBL28324314 0.69 ALDH1A1 (0.44) MAPTTSHRHTTALDH1A1LMNA
SCHEMBL28209391 0.68 IDO1 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1846969 0.68 LMNA (0.40) KMT2AMEN1CYP2D6MAPTTSHR
SCHEMBL1848989 0.67

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US claimed
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
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US 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 SLC1A3 1976/4885SLC1A2 2528/4885SLC1A1 2152/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS SLC1A3 1229/4885SLC1A2 1984/4885SLC1A1 1403/4885

“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.