SCHEMBL314854

SCHEMBL314854

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cccnc3)n2)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
PIM1 P11309 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
KARS1 Q15046 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KMO O15229 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SRC P12931 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL314853 1.00 CYP2A6 (0.39) CYP2A6PIM1CYP3A4CYP2C9CYP2C19
SCHEMBL314974 0.91 SLC6A2 (0.32) POLB
SCHEMBL314975 0.91 SLC6A2 (0.32) POLB
SCHEMBL314785 0.84 NPC1 (0.36) CYP2A6CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3395672 0.84 NPC1 (0.36) CYP2A6CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL2411065 0.84 CYP11B1 (0.39) CYP2A6CYP3A4CYP2C9CYP2C19KMO
SCHEMBL2411071 0.84 CYP11B1 (0.39) CYP2A6CYP3A4CYP2C9CYP2C19KMO
SCHEMBL316661 0.83 MKNK1 (0.36) CYP2A6CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL2410997 0.83 CHRNB4 (0.42) CYP2A6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2411000 0.83 CHRNB4 (0.42) CYP2A6CYP3A4CYP2C9CYP2C19ALDH1A1

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 CYP2A6 158/4885PIM1 1645/4885CYP3A4 126/4885

“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.