SCHEMBL315464

SCHEMBL315464

Cc1noc(C)c1-c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.35
AURKB Q96GD4 5/20 0.35
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MTOR P42345 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL315465 1.00 AURKA (0.35) AURKAAURKBFLT3TYRO3MERTK
SCHEMBL2412532 0.85 SLC9A3 (0.42) CYP1A2CYP3A4CYP2C19HSD17B10TDP1
SCHEMBL2412534 0.85 SLC9A3 (0.42) CYP1A2CYP3A4CYP2C19HSD17B10TDP1
SCHEMBL315769 0.85 FFAR1 (0.37) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL315768 0.85 FFAR1 (0.37) CYP1A2CYP3A4CYP2C19ALOX15HSD17B10
SCHEMBL316453 0.82 MAPT (0.32) ALDH1A1KMT2A
SCHEMBL316454 0.82 MAPT (0.32) ALDH1A1KMT2A
SCHEMBL315537 0.82 FFAR1 (0.33) CYP3A4ALOX15HSD17B10TDP1BRD4
SCHEMBL315538 0.82 FFAR1 (0.33) CYP3A4ALOX15HSD17B10TDP1BRD4
SCHEMBL314939 0.80 MAPK1 (0.34) MAPK1

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 AURKA 3952/4885AURKB 3738/4885FLT3 1638/4885

“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.