SCHEMBL315023

SCHEMBL315023

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CHRNA7 P36544 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PIK3CD O00329 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
DGAT1 O75907 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
SCHEMBL3398167 1.00 NAAA (0.33) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL4859819 0.93 CHRM4 (0.33) CHRNA7CHRM4
SCHEMBL4859809 0.93 CHRM4 (0.33) CHRNA7CHRM4
SCHEMBL314941 0.89 CHRNA7 (0.35) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL3399328 0.89 CHRNA7 (0.35) NAAAPDE10ACHRNA7RXFP1PIK3CD
SCHEMBL315460 0.88 CHRNA7 (0.32) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL3401000 0.88 CHRNA7 (0.32) CHRNA7RXFP1CHRM4CYP4F2CYP4A11
SCHEMBL2142885 0.88 CHRNA7 (0.44) CHRNA7RXFP1CYP4F2CYP4A11
SCHEMBL2138931 0.88 RXFP1 (0.44) NAAACHRNA7RXFP1
SCHEMBL5275422 0.88 RXFP1 (0.44) NAAACHRNA7RXFP1

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 NAAA 2772/4885PDE10A 1836/4885CHRNA7 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.