SCHEMBL1784332

SCHEMBL1784332

O=C(CS)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL7024101 0.79 HTT (0.48) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL14517812 0.74 HTT (0.39) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL11122131 0.74 MEN1 (0.44) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL1481978 0.74 PTPN1 (0.44) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL330842 0.72 HTT (0.43) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL8827233 0.72 HTT (0.38) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL13670601 0.72 HTT (0.43) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL23692883 0.70 FASN (0.42) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL28731623 0.70 HTT (0.37) HTTCES2CES1PKMSMN1; SMN2
SCHEMBL25992037 0.69 MCL1 (0.39) HTTCES2CES1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124891-A1 ALPHA-PENTAFLUOROSULFANYL ALDEHYDES, KETONES AND ACIDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2011-05-26 US disclosed
WO-2009026191-A1 ALPHA-PENTAFLUOROSUFANYL ALDEHYDES, KETONES AND ACIDS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-02-26 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 (1 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-20110124891-A1 ALPHA-PENTAFLUOROSULFANYL ALDEHYDES, KETONES AND ACIDS CBR1, CBR3, AKR1C3 HTT 2390/4885CES2 751/4885CES1 549/4885

“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.