SCHEMBL314613

SCHEMBL314613

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnc(-c2ccnc(C)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.34
MAPK1 P28482 3/20 0.34
ABL1 P00519 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL314614 1.00 WNT3A (0.34) WNT3AMAPK1ABL1PTGDR2
SCHEMBL314511 0.94 WNT3A (0.34) WNT3A
SCHEMBL314512 0.94 WNT3A (0.34) WNT3A
SCHEMBL3399355 0.91 ADORA2A (0.32)
SCHEMBL314779 0.91 ADORA2A (0.32)
SCHEMBL315234 0.88 FFAR4 (0.33)
SCHEMBL315235 0.88 FFAR4 (0.33)
SCHEMBL2139974 0.88 DHODH (0.35)
SCHEMBL2139978 0.88 DHODH (0.35)
SCHEMBL3395742 0.87

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 WNT3A 3522/4885MAPK1 3354/4885ABL1 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.