SCHEMBL315190

SCHEMBL315190

Cc1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c(-c2c(C)noc2C)n1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.32
MAPK14 Q16539 1/20 0.32
BRD4 O60885 4/20 0.31
BRD2 P25440 4/20 0.31
BRD3 Q15059 3/20 0.31
FFAR2 O15552 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
EP300 Q09472 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
SCHEMBL315191 1.00 CTSA (0.32) CTSAMAPK14BRD4BRD2BRD3
SCHEMBL315838 0.84 FFAR2 (0.35) BRD4BRD2BRD3FFAR2CYP1A2
SCHEMBL315839 0.84 FFAR2 (0.35) BRD4BRD2BRD3FFAR2CYP1A2
SCHEMBL2411799 0.81 BRD4 (0.38) BRD4BRD2FFAR2CYP1A2CYP3A4
SCHEMBL2411794 0.81 BRD4 (0.38) BRD4BRD2FFAR2CYP1A2CYP3A4
SCHEMBL314985 0.81 MTOR (0.33) MAPK14BRD4BRD2BRD3FFAR2
SCHEMBL314984 0.81 MTOR (0.33) MAPK14BRD4BRD2BRD3FFAR2
SCHEMBL2412237 0.80 BTK (0.36) MAPK14BRD4FFAR2CYP1A2CYP3A4
SCHEMBL2412241 0.80 BTK (0.36) MAPK14BRD4FFAR2CYP1A2CYP3A4
SCHEMBL1973445 0.80 MEN1 (0.37)

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 CTSA 4127/4885MAPK14 3917/4885BRD4 3810/4885

“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.