SCHEMBL315420

SCHEMBL315420

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.33
CYP4F2 P78329 2/20 0.33
ABL1 P00519 1/20 0.32
MELK Q14680 1/20 0.32
MAPK1 P28482 1/20 0.30
FAAH O00519 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
SCHEMBL315419 1.00 CYP4A11 (0.33) CYP4A11CYP4F2ABL1MELKMAPK1
SCHEMBL313935 0.85 TRPV4 (0.34) CYP4A11CYP4F2
SCHEMBL3397421 0.85 TRPV4 (0.34) CYP4A11CYP4F2
SCHEMBL3400272 0.83 AURKA (0.35) CYP4A11CYP4F2
SCHEMBL316125 0.83 AURKA (0.35) CYP4A11CYP4F2
SCHEMBL5283290 0.82 CHRNA7 (0.44) CYP4A11CYP4F2
SCHEMBL2142885 0.82 CHRNA7 (0.44) CYP4A11CYP4F2
SCHEMBL315571 0.82 POLB (0.34) CYP4A11CYP4F2ABL1
SCHEMBL315570 0.82 POLB (0.34) CYP4A11CYP4F2ABL1
SCHEMBL2411314 0.82 FASN (0.36) ABL1

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 CYP4A11 285/4885CYP4F2 59/4885ABL1 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.