SCHEMBL314580

SCHEMBL314580

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cnc(-c3ccc(F)nc3)c(F)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
NTMT1 Q9BV86 1/20 0.31
F2R P25116 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
SCHEMBL314579 1.00 KDM1A (0.31) KDM1ACYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL315235 0.93 FFAR4 (0.33) KDM1AF2R
SCHEMBL315234 0.93 FFAR4 (0.33) KDM1AF2R
SCHEMBL314511 0.89 WNT3A (0.34)
SCHEMBL314512 0.89 WNT3A (0.34)
SCHEMBL2139978 0.89 DHODH (0.35) F2R
SCHEMBL2139974 0.89 DHODH (0.35) F2R
SCHEMBL314779 0.88 ADORA2A (0.32) CYP3A4CYP2C19
SCHEMBL3399355 0.88 ADORA2A (0.32) CYP3A4CYP2C19
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 KDM1A 1993/4885CYP3A4 126/4885CYP2A6 158/4885

“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.