SCHEMBL1973033

SCHEMBL1973033

O=C(CN1CCCCC1)O[C@@H]1[C@@H](OC(=O)CN2CCCCC2)[C@H](OC(=O)CN2CCCCC2)CS[C@H]1Oc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
ALDH1A1 P00352 5/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRNA7 P36544 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 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
SCHEMBL1975341 0.83 CCNC (0.36) CHRNB2CHRNA4GRIN1GRIN2BMAPT
SCHEMBL1972925 0.82 KMT2A (0.35) CHRNB2CHRNA4GRIN1GRIN2BKMT2A
SCHEMBL1974993 0.81 KCNA5 (0.36) CHRNB2CHRNA4GRIN1GRIN2BCHRNB4
SCHEMBL4864094 0.79 KCNA5 (0.38) CHRNB2CHRNA4ALDH1A1HTTCHRNB4
SCHEMBL1972019 0.78 CHRNB2 (0.35) CHRNB2CHRNA4GRIN1GRIN2BALDH1A1
SCHEMBL1976002 0.78 CHRNB2 (0.35) CHRNB2CHRNA4GRIN1GRIN2BALDH1A1
SCHEMBL1975867 0.76 KMT2A (0.36) CHRNB2CHRNA4ALDH1A1HTTMEN1
SCHEMBL1975703 0.76 CCNC (0.37) GRIN1GRIN2BALDH1A1MAPTKMT2A
SCHEMBL4862769 0.76 MMP1 (0.33) CHRNB2CHRNA4GRIN1GRIN2BALDH1A1
SCHEMBL1975551 0.75 CYP19A1 (0.36) CHRNB2CHRNA4GRIN1GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 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-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS CHRNB2 4512/4885CHRNA4 4795/4885GRIN1 4518/4885

“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.