SCHEMBL316683

SCHEMBL316683

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3ccoc3)nc2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
FYN P06241 4/20 0.33
P2RX3 P56373 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
CHRNA7 P36544 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
SCHEMBL316682 1.00 PTPN1 (0.35) PTPN1PTPN6PTPN11FYNP2RX3
SCHEMBL314637 0.86 CHRNA7 (0.32) CHRNA7
SCHEMBL314638 0.86 CHRNA7 (0.32) CHRNA7
SCHEMBL2142885 0.85 CHRNA7 (0.44) CHRNA7
SCHEMBL315133 0.85 CHRNA7 (0.33) FYNCYP11B1CYP11B2CHRNA7
SCHEMBL2138931 0.85 RXFP1 (0.44) CHRNA7
SCHEMBL315134 0.85 CHRNA7 (0.33) FYNCYP11B1CYP11B2CHRNA7
SCHEMBL5283290 0.85 CHRNA7 (0.44) CHRNA7
SCHEMBL5275422 0.85 RXFP1 (0.44) CHRNA7
SCHEMBL314941 0.84 CHRNA7 (0.35) CHRNA7

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 PTPN1 274/4885PTPN6 252/4885PTPN11 469/4885

“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.