SCHEMBL315850

SCHEMBL315850

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cccs3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
FYN P06241 1/20 0.35
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
CXCR3 P49682 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
BRAF P15056 1/20 0.32
HCK P08631 1/20 0.32
NR2C2 P49116 1/20 0.32
BTK Q06187 1/20 0.32
STK17B O94768 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
SCHEMBL315849 1.00 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2417455 0.87 ABL1 (0.36) CDK2GSK3AGSK3BABL1BCR
SCHEMBL2417451 0.87 ABL1 (0.36) CDK2GSK3AGSK3BABL1BCR
SCHEMBL2139089 0.86 CHRNB2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2139085 0.86 CHRNB2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL314631 0.86 MKNK1 (0.34)
SCHEMBL314632 0.86 MKNK1 (0.34)
SCHEMBL316064 0.84 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL316063 0.84 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL315649 0.84 CHRNB1 (0.37) 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.