SCHEMBL315224

SCHEMBL315224

Cn1cc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.41
CREBBP Q92793 10/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
IDH1 O75874 3/20 0.33
TTK P33981 1/20 0.32
MAPK1 P28482 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL315223 1.00 BRD4 (0.41) BRD4CREBBPCYP2C19CYP1A2CYP2C9
SCHEMBL2414199 0.86 BRD4 (0.35) BRD4CREBBPCYP2C19CYP1A2CYP2C9
SCHEMBL2414203 0.86 BRD4 (0.35) BRD4CREBBPCYP2C19CYP1A2CYP2C9
SCHEMBL314386 0.79 BRD4 (0.37) BRD4CREBBPMAPK1
SCHEMBL314387 0.79 BRD4 (0.37) BRD4CREBBPMAPK1
SCHEMBL316245 0.79 MKNK1 (0.39)
SCHEMBL316246 0.79 MKNK1 (0.39)
SCHEMBL314383 0.77
SCHEMBL314382 0.77
SCHEMBL2142139 0.76 CHRNB1 (0.43)

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 BRD4 3810/4885CREBBP 4455/4885CYP2C19 164/4885

“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.