SCHEMBL314817

SCHEMBL314817

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnccc1-c1c(C)noc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
BRD4 O60885 9/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.32
FFAR2 O15552 3/20 0.31
NSD3 Q9BZ95 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
ROCK2 O75116 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 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
SCHEMBL3398578 1.00 GPBAR1 (0.36) GPBAR1BRD4BRD2BRD3CYP3A4
SCHEMBL2413089 0.87 FFAR2 (0.38) BRD4BRD2CYP3A4ALOX15HSD17B10
SCHEMBL2413091 0.87 FFAR2 (0.38) BRD4BRD2CYP3A4ALOX15HSD17B10
SCHEMBL2410896 0.84 BTK (0.35) BRD4BRD2CYP3A4ARFFAR2
SCHEMBL2410893 0.84 BTK (0.35) BRD4BRD2CYP3A4ARFFAR2
SCHEMBL314690 0.84 SLC22A12 (0.32)
SCHEMBL314689 0.84 SLC22A12 (0.32)
SCHEMBL315927 0.82 FFAR2 (0.35) BRD4BRD2FFAR2ALDH1A1
SCHEMBL3399884 0.82 FFAR2 (0.35) BRD4BRD2FFAR2ALDH1A1
SCHEMBL316661 0.82 MKNK1 (0.36) CYP3A4ARALDH1A1CYP2C19

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 GPBAR1 2478/4885BRD4 3810/4885BRD2 4694/4885

“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.