SCHEMBL314753

SCHEMBL314753

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccnc(-c3cccnc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
KMO O15229 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
FYN P06241 1/20 0.34
CYP19A1 P11511 2/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SRC P12931 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL314752 1.00 CYP2A6 (0.39) CYP2A6KMOLOXL2NPC1RAB9A
SCHEMBL315557 0.89 MAPKAPK2 (0.32) MAPKAPK2FYN
SCHEMBL315558 0.89 MAPKAPK2 (0.32) MAPKAPK2FYN
SCHEMBL2411065 0.88 CYP11B1 (0.39) CYP2A6KMOCYP19A1ABL1BCR
SCHEMBL2411071 0.88 CYP11B1 (0.39) CYP2A6KMOCYP19A1ABL1BCR
SCHEMBL316422 0.87 CYP3A4 (0.38) CYP2A6KMONPC1RAB9AFYN
SCHEMBL316423 0.87 CYP3A4 (0.38) CYP2A6KMONPC1RAB9AFYN
SCHEMBL315649 0.86 CHRNB1 (0.37) CYP2A6NPC1RAB9ACYP19A1ABL1
SCHEMBL315650 0.86 CHRNB1 (0.37) CYP2A6NPC1RAB9ACYP19A1ABL1
SCHEMBL2410664 0.86 CYP19A1 (0.38) CYP2A6NPC1RAB9ACYP19A1ABL1

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 158/4885KMO 769/4885LOXL2 508/4885

“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.