SCHEMBL314605

SCHEMBL314605

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP2A6 P11509 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2E1 P05181 1/20 0.33
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
GRM5 P41594 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DYRK1A Q13627 2/20 0.31
GSK3B P49841 1/20 0.31
INPPL1 O15357 2/20 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
SCHEMBL314606 1.00 CYP11B1 (0.36) CYP11B1CYP11B2CYP2A6CYP2B6CYP2E1
SCHEMBL2140352 0.88 CHRNB4 (0.40) CYP11B1CYP11B2CHRNB2CHRNB1CHRNB4
SCHEMBL2140348 0.88 CHRNB4 (0.40) CYP11B1CYP11B2CHRNB2CHRNB1CHRNB4
SCHEMBL316441 0.86 MAPT (0.34) GBA1UGCGGBA2GRM5DYRK1A
SCHEMBL316440 0.86 MAPT (0.34) GBA1UGCGGBA2GRM5DYRK1A
SCHEMBL2142902 0.86 CYP11B1 (0.38) CYP11B1CYP11B2CHRNB2CHRNB1CHRNB4
SCHEMBL2417948 0.86 GRM5 (0.36) CYP11B2CYP2A6CYP2B6CYP2E1GBA1
SCHEMBL2417950 0.86 GRM5 (0.36) CYP11B2CYP2A6CYP2B6CYP2E1GBA1
SCHEMBL315644 0.86 CYP2A6 (0.37) CYP2A6CHRNB2CHRNB1CHRNB4CHRNA3
SCHEMBL315645 0.86 CYP2A6 (0.37) CYP2A6CHRNB2CHRNB1CHRNB4CHRNA3

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 CYP11B1 295/4885CYP11B2 261/4885CYP2A6 158/4885

“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.