SCHEMBL1975341

SCHEMBL1975341

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KMT2A Q03164 3/20 0.34
CYP19A1 P11511 2/20 0.34
CYP17A1 P05093 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
FAAH O00519 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
SCHEMBL1972925 0.91 KMT2A (0.35) CCNCCDK8KMT2ACYP19A1CYP17A1
SCHEMBL1974993 0.88 KCNA5 (0.36) CYP19A1CYP17A1GRIN1GRIN2BCHRNB2
SCHEMBL1976002 0.85 CHRNB2 (0.35) CCNCCDK8KMT2AGRIN1GRIN2B
SCHEMBL1972019 0.85 CHRNB2 (0.35) CCNCCDK8KMT2AGRIN1GRIN2B
SCHEMBL1975703 0.85 CCNC (0.37) CCNCCDK8KMT2AGRIN1GRIN2B
SCHEMBL4864094 0.84 KCNA5 (0.38) CYP19A1CYP17A1CHRNB2CHRNA4
SCHEMBL1973033 0.83 CHRNB2 (0.39) KMT2AGRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL1975867 0.83 KMT2A (0.36) KMT2ACYP19A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL1975551 0.82 CYP19A1 (0.36) KMT2ACYP19A1CYP17A1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4858247 0.82 KMT2A (0.35) KMT2ACYP19A1CHRNB2CHRNA4SMN1; 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 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 CCNC 2802/4885CDK8 1648/4885KMT2A 4016/4885

“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.