SCHEMBL1847209

SCHEMBL1847209

O=[N+]([O-])c1ccc(S(=O)OCCF)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
IDO1 P14902 2/20 0.39
HSPB1 P04792 1/20 0.39
SNCA P37840 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 1/20 0.35
AKR1C3 P42330 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL23998043 0.79 ACHE (0.45) LOXL2TSHRCYP1A2CYP2C19IDO1
SCHEMBL21284573 0.75 HSPB1 (0.42) KCNH2HSPB1ALDH1A1MEN1KMT2A
SCHEMBL1847372 0.74 CYP24A1 (0.37) LOXL2ALDH1A1
SCHEMBL24013194 0.73 HSD17B10 (0.48) CYP1A2CYP2C19IDO1ALDH1A1HSD17B10
SCHEMBL12274410 0.72 KCNH2 (0.60) KCNH2HSPB1SNCAALDH1A1MAOB
SCHEMBL1848198 0.71 EPHX2 (0.36) TSHRALDH1A1HSD17B10ACHEMAOB
SCHEMBL23998042 0.69 HSD17B10 (0.44) TSHRCYP1A2CYP2C19KCNH2ALDH1A1
SCHEMBL6690834 0.69 CES1 (0.48) TSHRCYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL19127566 0.68 CA1 (0.47) LOXL2TSHRKCNH2ALDH1A1LMNA
SCHEMBL24013189 0.68 MAPT (0.40) LOXL2TSHRCYP1A2CYP2C19IDO1

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
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
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US 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 LOXL2 1456/4885TSHR 2367/4885CYP1A2 1113/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS LOXL2 2517/4885TSHR 2283/4885CYP1A2 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.