SCHEMBL315538

SCHEMBL315538

Cc1noc(C)c1-c1ncc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.33
MAPK14 Q16539 1/20 0.32
BRD4 O60885 2/20 0.32
HTR2C P28335 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERN1 O75460 1/20 0.31
CREBBP Q92793 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
SCHEMBL315537 1.00 FFAR1 (0.33) FFAR1MAPK14BRD4HTR2CCYP3A4
SCHEMBL315464 0.82 AURKA (0.35) BRD4CYP3A4ALOX15HSD17B10TDP1
SCHEMBL315465 0.82 AURKA (0.35) BRD4CYP3A4ALOX15HSD17B10TDP1
SCHEMBL313954 0.81 BRD4 (0.37) FFAR1BRD4ERN1CREBBP
SCHEMBL313955 0.81 BRD4 (0.37) FFAR1BRD4ERN1CREBBP
SCHEMBL315131 0.79
SCHEMBL315132 0.79
SCHEMBL2413379 0.79 ERN1 (0.40) FFAR1BRD4ERN1CREBBP
SCHEMBL2413381 0.79 ERN1 (0.40) FFAR1BRD4ERN1CREBBP
SCHEMBL2412532 0.78 SLC9A3 (0.42) BRD4CYP3A4HSD17B10TDP1ERN1

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 FFAR1 3460/4885MAPK14 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.