SCHEMBL1974993

SCHEMBL1974993

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.36
GRM2 Q14416 2/20 0.36
CYP19A1 P11511 5/20 0.35
CYP17A1 P05093 3/20 0.35
FFAR1 O14842 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL4864094 0.95 KCNA5 (0.38) KCNA5GRM2CYP19A1CYP17A1FFAR1
SCHEMBL1975341 0.88 CCNC (0.36) CYP19A1CYP17A1CHRNB2CHRNA4GRIN1
SCHEMBL1972925 0.86 KMT2A (0.35) CYP19A1CYP17A1FFAR1CHRNB2CHRNA4
SCHEMBL1974023 0.84 CYP19A1 (0.36) CYP19A1CYP17A1FFAR1CHRNB4CHRNA3
SCHEMBL1975867 0.83 KMT2A (0.36) CYP19A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1976002 0.82 CHRNB2 (0.35) CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL1972019 0.82 CHRNB2 (0.35) CHRNB2CHRNA4GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4858247 0.82 KMT2A (0.35) CYP19A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1973033 0.81 CHRNB2 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4GRIN1
SCHEMBL1975703 0.80 CCNC (0.37) GRIN1GRIN2B

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 KCNA5 2412/4885GRM2 3827/4885CYP19A1 1066/4885

“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.