SCHEMBL315519

SCHEMBL315519

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cnn(C)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.35
USP30 Q70CQ3 1/20 0.35
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR3 P22607 2/20 0.33
KDR P35968 2/20 0.33
MTOR P42345 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CREBBP Q92793 1/20 0.33
PIK3CA P42336 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL3399315 1.00 FYN (0.35) FYNUSP30ABL1BCRFGFR1
SCHEMBL314637 0.86 CHRNA7 (0.32) CHRNA7
SCHEMBL314638 0.86 CHRNA7 (0.32) CHRNA7
SCHEMBL315133 0.85 CHRNA7 (0.33) FYNCYP11B1CYP11B2CHRNA7
SCHEMBL5275422 0.85 RXFP1 (0.44) MTORPIK3CACHEK1CHRNA7
SCHEMBL5283290 0.85 CHRNA7 (0.44) CHRNA7KIT
SCHEMBL2138931 0.85 RXFP1 (0.44) MTORPIK3CACHEK1CHRNA7
SCHEMBL315134 0.85 CHRNA7 (0.33) FYNCYP11B1CYP11B2CHRNA7
SCHEMBL2142885 0.85 CHRNA7 (0.44) CHRNA7KIT
SCHEMBL314941 0.84 CHRNA7 (0.35) MTORPIK3CACHRNA7

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 FYN 425/4885USP30 1942/4885ABL1 1574/4885

“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.