SCHEMBL315133

SCHEMBL315133

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccncc2)nc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
CYP4A11 Q02928 3/20 0.33
CYP4F2 P78329 2/20 0.33
WNT3A P56704 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKG1 Q13976 1/20 0.32
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
FYN P06241 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL315134 1.00 CHRNA7 (0.33) CHRNA7CYP4A11CYP4F2WNT3ARXFP1
SCHEMBL314638 0.91 CHRNA7 (0.32) CHRNA7CYP4A11CYP4F2RXFP1
SCHEMBL314637 0.91 CHRNA7 (0.32) CHRNA7CYP4A11CYP4F2RXFP1
SCHEMBL316422 0.90 CYP3A4 (0.38) GRM5FYNCYP11B1CYP11B2
SCHEMBL316423 0.90 CYP3A4 (0.38) GRM5FYNCYP11B1CYP11B2
SCHEMBL5275422 0.90 RXFP1 (0.44) CHRNA7RXFP1
SCHEMBL2142885 0.90 CHRNA7 (0.44) CHRNA7CYP4A11CYP4F2RXFP1
SCHEMBL5283290 0.90 CHRNA7 (0.44) CHRNA7CYP4A11CYP4F2RXFP1
SCHEMBL2138931 0.90 RXFP1 (0.44) CHRNA7RXFP1
SCHEMBL5278877 0.88 KDM1A (0.36) CHRNA7RXFP1

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 4780/4885CYP4A11 285/4885CYP4F2 59/4885

“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.