SCHEMBL315460

SCHEMBL315460

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccc(F)nc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.32
NTMT1 Q9BV86 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
MCHR1 Q99705 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CHRM4 P08173 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3401000 1.00 CHRNA7 (0.32) CHRNA7NTMT1GRIN1GRIN2BMCHR1
SCHEMBL4864102 0.93 GRIN1 (0.34) GRIN1GRIN2BCHRM4
SCHEMBL4864112 0.93 GRIN1 (0.34) GRIN1GRIN2BCHRM4
SCHEMBL3399328 0.89 CHRNA7 (0.35) CHRNA7GRIN1GRIN2BRXFP1CHRM4
SCHEMBL314941 0.89 CHRNA7 (0.35) CHRNA7GRIN1GRIN2BRXFP1CHRM4
SCHEMBL3398167 0.88 NAAA (0.33) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL315023 0.88 NAAA (0.33) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL2138931 0.88 RXFP1 (0.44) CHRNA7MCHR1RXFP1CYP2C19
SCHEMBL2142885 0.88 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL5283290 0.88 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11

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 CHRNA7 4780/4885NTMT1 1613/4885GRIN1 4613/4885

“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.