SCHEMBL314665

SCHEMBL314665

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccc(F)nc3)nc2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
CHRNA7 P36544 1/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2B6 P20813 2/20 0.32
JAK2 O60674 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ALK Q9UM73 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 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
SCHEMBL314666 1.00 GRIN1 (0.33) GRIN1GRIN2BCHRNA7CYP2A6CYP2B6
SCHEMBL1974804 0.91 CHRNB2 (0.35) GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL1974805 0.91 CHRNB2 (0.35) GRIN1GRIN2BCHRNB2CHRNA4
SCHEMBL2141549 0.89 RXFP1 (0.38) CHRNA7RETMAP2K1MAPK14MCHR1
SCHEMBL2141541 0.89 RXFP1 (0.38) CHRNA7RETMAP2K1MAPK14MCHR1
SCHEMBL314384 0.86 CHRNA7 (0.37) GRIN1GRIN2BCHRNA7MTORRXFP1
SCHEMBL314385 0.86 CHRNA7 (0.37) GRIN1GRIN2BCHRNA7MTORRXFP1
SCHEMBL314765 0.86 NAAA (0.33) CHRNA7CHRNB2CHRNA4
SCHEMBL314764 0.86 NAAA (0.33) CHRNA7CHRNB2CHRNA4
SCHEMBL313709 0.85 IDO1 (0.35) MTORGBA1UGCGGBA2MAPT

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 GRIN1 4613/4885GRIN2B 4833/4885CHRNA7 4780/4885

“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.