SCHEMBL314940

SCHEMBL314940

Cc1n[nH]c(C)c1-c1ccc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ABL1 P00519 1/20 0.32
CYP4F2 P78329 3/20 0.31
CYP4A11 Q02928 3/20 0.31
CHEK1 O14757 1/20 0.31
AKT2 P31751 1/20 0.31
CHRNA7 P36544 1/20 0.31
ALOX5AP P20292 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
SCHEMBL314939 1.00 MAPK1 (0.34) MAPK1ABL1CYP4F2CYP4A11CHEK1
SCHEMBL3994997 0.82
SCHEMBL315560 0.82 TRPV4 (0.38) MAPK1ALOX5AP
SCHEMBL315561 0.82 TRPV4 (0.38) MAPK1ALOX5AP
SCHEMBL315465 0.80 AURKA (0.35) MAPK1
SCHEMBL315464 0.80 AURKA (0.35) MAPK1
SCHEMBL2140812 0.79 CHRNA7 (0.47) ABL1CHRNA7
SCHEMBL2140810 0.79 CHRNA7 (0.47) ABL1CHRNA7
SCHEMBL2408684 0.79 CHEK1 (0.41) MAPK1ABL1CHEK1AKT2
SCHEMBL314834 0.79 ABL1 (0.35) ABL1CHRNA7

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 MAPK1 3354/4885ABL1 1574/4885CYP4F2 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.