SCHEMBL1847758

SCHEMBL1847758

O=S(OCCCCCF)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
KCNA3 P22001 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 4/20 0.32
HDAC4 P56524 4/20 0.32
HDAC7 Q8WUI4 4/20 0.32
HDAC10 Q969S8 4/20 0.32
HDAC11 Q96DB2 4/20 0.32
HDAC8 Q9BY41 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC9 Q9UKV0 4/20 0.32
HDAC5 Q9UQL6 4/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1847989 0.98 CYP24A1 (0.40) CYP24A1TDP1HDAC1HDAC2KCNA3
SCHEMBL1846993 0.93 CYP24A1 (0.41) CYP24A1TDP1HDAC1HDAC2KCNA3
SCHEMBL1847372 0.85 CYP24A1 (0.37) CYP24A1TDP1ALDH1A1
SCHEMBL8915435 0.82 TSHR (0.49) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL20526214 0.82 TSHR (0.49) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL27521423 0.82 TSHR (0.49) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL30528958 0.81 TSHR (0.47) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL29575676 0.81 TSHR (0.47) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6002444 0.80 TSHR (0.47) CYP24A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL6002555 0.78 TSHR (0.46) CYP24A1TDP1SMN1; SMN2TSHRALDH1A1

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 7 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
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 CYP24A1 3328/4885TDP1 940/4885HDAC1 3571/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS CYP24A1 3600/4885TDP1 1032/4885HDAC1 4165/4885

“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.