SCHEMBL3194643

SCHEMBL3194643

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccnc2N)SC[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.32
MAPK14 Q16539 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX12 P18054 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3194634 1.00 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1973110 0.87 GRIN1 (0.36)
SCHEMBL1973109 0.87 GRIN1 (0.36)
SCHEMBL1978407 0.87 GRIN1 (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1978405 0.87 GRIN1 (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2140403 0.86 L3MBTL1 (0.35) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL2140393 0.86 L3MBTL1 (0.35) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL314916 0.86 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL314915 0.86 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1975331 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTLMNA

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-7652032-B2 5-Thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2010-01-26 US disclosed
EP-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed
US-20090118325-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A. (FR) 2009-05-07 US disclosed
EP-2041153-A1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES Laboratoires Fournier S.A. (FR) 2009-04-01 EP disclosed
WO-2008007027-A1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES LABORATOIRES FOURNIER S.A. (FR) 2008-01-17 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-20090118325-A1 5-Thioxylopyranose Compounds STS, F2, CBR1 KDM4E 2404/4885ALDH1A1 2550/4885HPGD 355/4885

“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.