SCHEMBL314680

SCHEMBL314680

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccc(C#N)nc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CHRNA7 P36544 1/20 0.31
PIK3CD O00329 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
MTOR P42345 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NAAA Q02083 1/20 0.31
SYK P43405 1/20 0.30
POLQ O75417 1/20 0.30
CHEK1 O14757 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
SCHEMBL3401111 1.00 MELK (0.32) MELKPDE10ACHRNA7PIK3CDKDM4E
SCHEMBL1972967 0.93 NOS1 (0.31)
SCHEMBL1972962 0.93 NOS1 (0.31)
SCHEMBL2140499 0.90 ALDH1A1 (0.40) PDE10ACHRNA7KDM4EALDH1A1HPGD
SCHEMBL2140497 0.90 ALDH1A1 (0.40) PDE10ACHRNA7KDM4EALDH1A1HPGD
SCHEMBL3399328 0.87 CHRNA7 (0.35) PDE10ACHRNA7PIK3CDMTORNAAA
SCHEMBL314941 0.87 CHRNA7 (0.35) PDE10ACHRNA7PIK3CDMTORNAAA
SCHEMBL315460 0.86 CHRNA7 (0.32) CHRNA7
SCHEMBL3398167 0.86 NAAA (0.33) PDE10ACHRNA7PIK3CDNAAA
SCHEMBL315023 0.86 NAAA (0.33) PDE10ACHRNA7PIK3CDNAAA

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 MELK 4313/4885PDE10A 1836/4885CHRNA7 4780/4885

“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.