SCHEMBL315567

SCHEMBL315567

N#Cc1ccc(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.35
PDE10A Q9Y233 3/20 0.33
PDE4A P27815 2/20 0.32
KCNH2 Q12809 1/20 0.32
SYK P43405 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
ALOX5AP P20292 2/20 0.32
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
VHL P40337 1/20 0.31
JAK3 P52333 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NAAA Q02083 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
SCHEMBL315566 1.00 MTOR (0.35) MTORPDE10APDE4AKCNH2SYK
SCHEMBL1973490 0.92 PDE10A (0.31) PDE10A
SCHEMBL1973488 0.92 PDE10A (0.31) PDE10A
SCHEMBL2140048 0.89 KDM1A (0.42) CHRNA7KDM4EALDH1A1HPGDHTT
SCHEMBL2140042 0.89 KDM1A (0.42) CHRNA7KDM4EALDH1A1HPGDHTT
SCHEMBL314666 0.84 GRIN1 (0.33) MTORCHRNA7
SCHEMBL314665 0.84 GRIN1 (0.33) MTORCHRNA7
SCHEMBL314765 0.84 NAAA (0.33) PDE10ACPT2CPT1ACHRNA7NAAA
SCHEMBL314384 0.84 CHRNA7 (0.37) MTORPDE10ACPT2CPT1ACHRNA7
SCHEMBL314385 0.84 CHRNA7 (0.37) MTORPDE10ACPT2CPT1ACHRNA7

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 MTOR 1560/4885PDE10A 1836/4885PDE4A 1917/4885

“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.