SCHEMBL316178

SCHEMBL316178

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cnccn3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.31
PIK3CA P42336 1/20 0.30
CYP11B2 P19099 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
SCHEMBL316176 1.00 ABL1 (0.31) ABL1PIK3CACYP11B2
SCHEMBL2411942 0.88 PIM2 (0.38) ABL1PIK3CA
SCHEMBL2411945 0.88 PIM2 (0.38) ABL1PIK3CA
SCHEMBL314917 0.87 CYP2A6 (0.38) ABL1CYP11B2
SCHEMBL3395978 0.87 CYP2A6 (0.38) ABL1CYP11B2
SCHEMBL314162 0.86 DGAT2 (0.32)
SCHEMBL314163 0.86 DGAT2 (0.32)
SCHEMBL316064 0.85 CHRNB1 (0.34) ABL1CYP11B2
SCHEMBL316063 0.85 CHRNB1 (0.34) ABL1CYP11B2
SCHEMBL315649 0.85 CHRNB1 (0.37) ABL1CYP11B2

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 2 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
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 ABL1 1574/4885PIK3CA 1737/4885CYP11B2 261/4885

“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.