SCHEMBL315550

SCHEMBL315550

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ncccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ABL1 P00519 2/20 0.36
GCK P35557 2/20 0.31
TRPV1 Q8NER1 2/20 0.30
SMO Q99835 2/20 0.30
PDE10A Q9Y233 1/20 0.30
CHEK1 O14757 1/20 0.30
CDK7 P50613 1/20 0.30

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
SCHEMBL3400490 1.00 CYP2A6 (0.36) CYP2A6ABL1GCKTRPV1SMO
SCHEMBL3398348 0.90 CYP11B2 (0.33)
SCHEMBL314808 0.90 CYP11B2 (0.33)
SCHEMBL315015 0.87 ABL1 (0.36) ABL1PDE10A
SCHEMBL3400440 0.87 ABL1 (0.36) ABL1PDE10A
SCHEMBL314163 0.86 DGAT2 (0.32)
SCHEMBL314162 0.86 DGAT2 (0.32)
SCHEMBL315650 0.85 CHRNB1 (0.37) CYP2A6ABL1
SCHEMBL315649 0.85 CHRNB1 (0.37) CYP2A6ABL1
SCHEMBL3400655 0.84 CHRNB2 (0.36) ABL1PDE10A

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 CYP2A6 158/4885ABL1 1574/4885GCK 1908/4885

“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.