SCHEMBL316520

SCHEMBL316520

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2cc3ccccc3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NPY1R P25929 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35
MKNK1 Q9BUB5 2/20 0.32
CA1 P00915 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
SCHEMBL315094 0.84 CHRNB1 (0.39) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL315093 0.84 CHRNB1 (0.39) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL315017 0.84 APP (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2139085 0.84 CHRNB2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2139089 0.84 CHRNB2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL315515 0.83
SCHEMBL3400306 0.83
SCHEMBL315029 0.81 TBK1 (0.34) CA1CA2CA9SLC6A3ERN1
SCHEMBL316063 0.81 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL316064 0.81 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX CHRNB1 4583/4885CHRNB2 4851/4885CHRNB4 4868/4885

“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.