SCHEMBL315645

SCHEMBL315645

O[C@@H]1[C@@H](O)[C@@H](Oc2cncc(-c3ccc(Cl)nc3)c2)SC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
INPPL1 O15357 5/20 0.33
PIK3CD O00329 1/20 0.33
CHRNB1 P11230 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNB3 Q05901 2/20 0.32
ERN1 O75460 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL315644 1.00 CYP2A6 (0.37) CYP2A6INPPL1PIK3CDCHRNB1CHRNB2
SCHEMBL2142297 0.88 CHRNB2 (0.40) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2142301 0.88 CHRNB2 (0.40) INPPL1CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL315299 0.86 CYP19A1 (0.33) GSK3B
SCHEMBL315298 0.86 CYP19A1 (0.33) GSK3B
SCHEMBL314605 0.86 CYP11B1 (0.36) CYP2A6INPPL1CHRNB1CHRNB2CHRNB4
SCHEMBL2413305 0.86 NPC1 (0.38) CYP2A6PIK3CDERN1
SCHEMBL2413310 0.86 NPC1 (0.38) CYP2A6PIK3CDERN1
SCHEMBL314606 0.86 CYP11B1 (0.36) CYP2A6INPPL1CHRNB1CHRNB2CHRNB4
SCHEMBL315871 0.85 CHRNB2 (0.36) 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 5 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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX CYP2A6 158/4885INPPL1 298/4885PIK3CD 2063/4885

“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.