SCHEMBL315571

SCHEMBL315571

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3c(C)nn(C)c3C)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
TNF P01375 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAP4K1 Q92918 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 1/20 0.30
ABCB11 O95342 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
FFAR1 O14842 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
SCHEMBL315570 1.00 POLB (0.34) POLBABL1BCRTNFCYP4F2
SCHEMBL2412681 0.82 FFAR1 (0.38) POLBFFAR1
SCHEMBL316739 0.82 BRD4 (0.32) POLB
SCHEMBL316740 0.82 BRD4 (0.32) POLB
SCHEMBL2412680 0.82 FFAR1 (0.38) POLBFFAR1
SCHEMBL315420 0.82 CYP4A11 (0.33) ABL1CYP4F2CYP4A11
SCHEMBL316125 0.82 AURKA (0.35) CYP4F2CYP4A11SLCO1B1FFAR1
SCHEMBL315419 0.82 CYP4A11 (0.33) ABL1CYP4F2CYP4A11
SCHEMBL3400272 0.82 AURKA (0.35) CYP4F2CYP4A11SLCO1B1FFAR1
SCHEMBL2142885 0.81 CHRNA7 (0.44) CYP4F2CYP4A11

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 POLB 3796/4885ABL1 1574/4885BCR 3624/4885

“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.