SCHEMBL315017

SCHEMBL315017

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2cc3ccccc3o2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
CNR2 P34972 1/20 0.38
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
CYP11B1 P15538 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 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
SCHEMBL316520 0.84 CHRNB1 (0.43) CD74MIFMMP13KDM4EALDH1A1
SCHEMBL314012 0.82 KDM4E (0.32) MMP13KDM4EALDH1A1NPC1RAB9A
SCHEMBL316106 0.82 PTPN2 (0.33) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL3400279 0.82 KDM4E (0.32) MMP13KDM4EALDH1A1NPC1RAB9A
SCHEMBL316107 0.82 PTPN2 (0.33) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL315279 0.80 JAK2 (0.35) CD74MIFKDM4EALDH1A1MAPT
SCHEMBL314637 0.78 CHRNA7 (0.32)
SCHEMBL314638 0.78 CHRNA7 (0.32)
SCHEMBL316422 0.78 CYP3A4 (0.38) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL316423 0.78 CYP3A4 (0.38) KDM4EALDH1A1NPC1RAB9ATP53

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 APP 4086/4885CNR2 2597/4885CD74 1682/4885

“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.