SCHEMBL1798585

SCHEMBL1798585

CC(C)(O)C#Cc1cc(C#N)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.45
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ALK Q9UM73 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HSD11B1 P28845 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
VCAM1 P19320 1/20 0.38
AR P10275 3/20 0.38
PTGES O14684 1/20 0.37
TBXAS1 P24557 1/20 0.37
ACACB O00763 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1794793 0.87 PGK1 (0.45) PGK1PDK1PDK2PDK3PDK4
SCHEMBL17672911 0.81 ALK (0.42) PGK1PDK1PDK2PDK3PDK4
SCHEMBL1799535 0.78 AR (0.42) ALKPTGDR2ARL3MBTL1
SCHEMBL29236456 0.77 PGK1 (0.43) PGK1CNR1CNR2HSD11B1AR
SCHEMBL30966841 0.77 PGK1 (0.43) PGK1CNR1CNR2HSD11B1AR
SCHEMBL1798406 0.75 AR (0.42) ALKARL3MBTL1FNTAFNTB
SCHEMBL6865029 0.75 KIF11 (0.45) ALKL3MBTL1
SCHEMBL3838602 0.74 VCAM1 (0.50) PTGDR2VCAM1ARACACBSLC22A12
SCHEMBL29898505 0.74 VCAM1 (0.50) PTGDR2VCAM1ARACACBSLC22A12
SCHEMBL1798290 0.73 VCAM1 (0.40) PTGDR2VCAM1ARACACB

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-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
US-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles TIDWELL RICHARD R 2006-11-23 US disclosed
EP-1719767-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles The University of North Carolina at Chapel Hill (US) 2006-11-08 EP 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-20060264487-A1 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles PFAS, DHPS, DDO PGK1 486/4885PDK1 482/4885PDK2 67/4885

“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.