SCHEMBL2412968

SCHEMBL2412968

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccccc2Br)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC18A3 Q16572 1/20 0.30
FFAR2 O15552 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
SCHEMBL2412965 1.00 KDM4E (0.36) KDM4EPOLBGAALMNAHPGD
SCHEMBL2408844 0.86 PIN1 (0.35)
SCHEMBL2408842 0.86 PIN1 (0.35)
SCHEMBL9355501 0.85 DDB1 (0.43) KDM4EPOLBGAALMNAHPGD
SCHEMBL9355494 0.85 DDB1 (0.43) KDM4EPOLBGAALMNAHPGD
SCHEMBL314915 0.83 KDM4E (0.32) KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL314600 0.83 IKBKB (0.33)
SCHEMBL314601 0.83 IKBKB (0.33)
SCHEMBL314916 0.83 KDM4E (0.32) KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL9355834 0.82 SMN1; SMN2 (0.34) KDM4EPOLBGAAHPGDSMN1; SMN2

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 KDM4E 1719/4885POLB 3076/4885GAA 977/4885

“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.