SCHEMBL314227

SCHEMBL314227

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2ccc(C#N)nc2)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CHEK1 O14757 1/20 0.32
PIK3CD O00329 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CTSA P10619 1/20 0.32
KCNH2 Q12809 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP11B2 P19099 5/20 0.31
CYP11B1 P15538 4/20 0.31
XDH P47989 1/20 0.31
POLQ O75417 1/20 0.30
MELK Q14680 1/20 0.30
CYP1A2 P05177 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
MAOB P27338 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
SCHEMBL3401283 1.00 GRIN2B (0.32) GRIN2BPDE10ACHEK1PIK3CDGPR119
SCHEMBL2413395 0.89 CTSA (0.37) PDE10ACHEK1PIK3CDGPR119CTSA
SCHEMBL2413398 0.89 CTSA (0.37) PDE10ACHEK1PIK3CDGPR119CTSA
SCHEMBL2142042 0.88 XDH (0.43) GPR119KCNH2CYP11B2CYP11B1XDH
SCHEMBL2142044 0.88 XDH (0.43) GPR119KCNH2CYP11B2CYP11B1XDH
SCHEMBL1972967 0.86 NOS1 (0.31) NOS1NOS2
SCHEMBL1972962 0.86 NOS1 (0.31) NOS1NOS2
SCHEMBL2141868 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2MAOB
SCHEMBL2141442 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2MAOB
SCHEMBL314680 0.86 MELK (0.32) PDE10ACHEK1PIK3CDGPR119BRD4

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 GRIN2B 4833/4885PDE10A 1836/4885CHEK1 4839/4885

“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.