SCHEMBL2408844

SCHEMBL2408844

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(F)ccc2Br)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.35
SCD O00767 13/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCD5 Q86SK9 1/20 0.32
MKNK2 Q9HBH9 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31

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
SCHEMBL2408842 1.00 PIN1 (0.35) PIN1SCDFFAR1FFAR4SCD5
SCHEMBL2412968 0.86 KDM4E (0.36)
SCHEMBL2412965 0.86 KDM4E (0.36)
SCHEMBL2410257 0.82 MAPK14 (0.37)
SCHEMBL2410261 0.82 MAPK14 (0.37)
SCHEMBL2415123 0.82 PTPN2 (0.33) PTPN2PTPN1PTPN6
SCHEMBL2415119 0.82 PTPN2 (0.33) PTPN2PTPN1PTPN6
SCHEMBL2410710 0.82 PTPN2 (0.33) PTPN2PTPN1PTPN6
SCHEMBL2410712 0.82 PTPN2 (0.33) PTPN2PTPN1PTPN6
SCHEMBL2412206 0.80 PTPN1 (0.35) MKNK2PTPN1PTPN6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 PIN1 2861/4885SCD 840/4885FFAR1 4195/4885

“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.