SCHEMBL314385

SCHEMBL314385

Cc1ccc(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
MAOB P27338 2/20 0.34
PDE10A Q9Y233 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
ABL1 P00519 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
DGAT1 O75907 1/20 0.32
KMT2A Q03164 2/20 0.32
NAAA Q02083 1/20 0.31
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL314384 1.00 CHRNA7 (0.37) CHRNA7MAOBPDE10AGRIN1GRIN2B
SCHEMBL1973290 0.91 CHRM4 (0.35) GRIN1GRIN2BFFAR4KMT2ACHRM4
SCHEMBL1973288 0.91 CHRM4 (0.35) GRIN1GRIN2BFFAR4KMT2ACHRM4
SCHEMBL2140812 0.89 CHRNA7 (0.47) CHRNA7RXFP1ABL1NAAA
SCHEMBL2140810 0.89 CHRNA7 (0.47) CHRNA7RXFP1ABL1NAAA
SCHEMBL2142627 0.87 RXFP1 (0.44) CHRNA7RXFP1KMT2ANAAAMEN1
SCHEMBL2142633 0.87 RXFP1 (0.44) CHRNA7RXFP1KMT2ANAAAMEN1
SCHEMBL314948 0.86 CYP11B1 (0.37) RXFP1DGAT1NAAAPIK3CAMTOR
SCHEMBL314949 0.86 CYP11B1 (0.37) RXFP1DGAT1NAAAPIK3CAMTOR
SCHEMBL314665 0.86 GRIN1 (0.33) CHRNA7GRIN1GRIN2BRXFP1MTOR

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 CHRNA7 4780/4885MAOB 644/4885PDE10A 1836/4885

“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.