SCHEMBL13494352

SCHEMBL13494352

CC(C)(C)Sc1c(F)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SLC6A4 P31645 1/20 0.31
RIPK1 Q13546 1/20 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
SCHEMBL25007440 0.83 AR (0.37) SLC6A4
SCHEMBL12361729 0.78 RIPK1 (0.37) ACHERIPK1
SCHEMBL21504654 0.75 RAPGEF4 (0.30) RIPK1
SCHEMBL10294028 0.73 ALOX5AP (0.39) ACHE
SCHEMBL3231058 0.72 CYP2A6 (0.39) ACHESLC6A4
SCHEMBL3122412 0.70 ADRA2A (0.40) ACHECES2CES1
SCHEMBL21504653 0.70 KDM4E (0.32)
SCHEMBL19860980 0.70 CA2 (0.48) SLC6A4
Fluoride SCHEMBL1334652 0.70 CYP2A6 (0.38) ACHESLC6A4
SCHEMBL10351674 0.70 CYP1A2 (0.38) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20110306798-A1 Methods for Producing Arylsulfur Pentafluorides UBE INDUSTRIES, LTD. (JP) 2011-12-15 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS ACHE 604/4885CES2 1588/4885CES1 1783/4885
US-20110306798-A1 Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, HDHD5 ACHE 2175/4885CES2 1195/4885CES1 2742/4885

“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.