SCHEMBL314984

SCHEMBL314984

Cc1noc(C)c1-c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c(F)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.33
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 1/20 0.31
BRD4 O60885 2/20 0.30
BRD2 P25440 2/20 0.30
BRD3 Q15059 2/20 0.30
FFAR2 O15552 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
SCHEMBL314985 1.00 MTOR (0.33) MTORMAPK14CYP1A2CYP3A4CYP2C19
SCHEMBL2414228 0.81 BRD4 (0.40) FFAR1BRD4BRD2BRD3
SCHEMBL2414234 0.81 BRD4 (0.40) FFAR1BRD4BRD2BRD3
SCHEMBL2412241 0.81 BTK (0.36) MAPK14CYP1A2CYP3A4CYP2C19BRD4
SCHEMBL315191 0.81 CTSA (0.32) MAPK14CYP1A2CYP3A4CYP2C19BRD4
SCHEMBL2412237 0.81 BTK (0.36) MAPK14CYP1A2CYP3A4CYP2C19BRD4
SCHEMBL315190 0.81 CTSA (0.32) MAPK14CYP1A2CYP3A4CYP2C19BRD4
SCHEMBL315465 0.80 AURKA (0.35) MTORCYP1A2CYP3A4CYP2C19BRD4
SCHEMBL315464 0.80 AURKA (0.35) MTORCYP1A2CYP3A4CYP2C19BRD4
SCHEMBL2411799 0.79 BRD4 (0.38) CYP1A2CYP3A4CYP2C19BRD4BRD2

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 5 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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 MTOR 1560/4885MAPK14 3917/4885CYP1A2 111/4885

“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.