SCHEMBL2414248

SCHEMBL2414248

COc1ncccc1-c1ccc(Cl)c(O[C@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.38
DHODH Q02127 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
KMO O15229 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL2414245 1.00 EIF4E (0.38) EIF4EDHODHNPC1MAPTRAB9A
SCHEMBL2412405 0.89 CYP11B2 (0.36) DHODHMAPTKMOKDM4ECYP3A4
SCHEMBL2412402 0.89 CYP11B2 (0.36) DHODHMAPTKMOKDM4ECYP3A4
SCHEMBL2417355 0.85 FFAR4 (0.41) DHODHHDAC6FFAR4ALOX5APFEN1
SCHEMBL2417357 0.85 FFAR4 (0.41) DHODHHDAC6FFAR4ALOX5APFEN1
SCHEMBL2412528 0.85 ABL1 (0.35) DHODHHDAC6LOXL2TBK1FFAR4
SCHEMBL2412530 0.85 ABL1 (0.35) DHODHHDAC6LOXL2TBK1FFAR4
SCHEMBL2414743 0.84 KMO (0.38) HDAC6KMOKDM4ECYP3A4ALOX12
SCHEMBL2414741 0.84 KMO (0.38) HDAC6KMOKDM4ECYP3A4ALOX12
SCHEMBL2414100 0.83 KMO (0.34) MAPTKMOMAOB

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 2 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

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 EIF4E 1083/4885DHODH 83/4885NPC1 3013/4885

“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.