SCHEMBL2411459

SCHEMBL2411459

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccccc2-c2ccncc2)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CDC7 O00311 1/20 0.32
ADORA2B P29275 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.31
FFAR2 O15552 2/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2411456 1.00 ADRA2A (0.36) ADRA2AADRA2BADRA2CPOLBGAA
SCHEMBL2410997 0.89 CHRNB4 (0.42) ADRA2AADRA2BADRA2CPOLBALDH1A1
SCHEMBL2411000 0.89 CHRNB4 (0.42) ADRA2AADRA2BADRA2CPOLBALDH1A1
SCHEMBL314689 0.89 SLC22A12 (0.32) ADORA2BIKBKBCHUK
SCHEMBL314690 0.89 SLC22A12 (0.32) ADORA2BIKBKBCHUK
SCHEMBL2410261 0.87 MAPK14 (0.37) CDC7ADORA2BMAPK14CYP11B1CYP11B2
SCHEMBL2410257 0.87 MAPK14 (0.37) CDC7ADORA2BMAPK14CYP11B1CYP11B2
SCHEMBL315596 0.86 CYP11B1 (0.35) POLBGAAKDM4EHTTPKM
SCHEMBL315595 0.86 CYP11B1 (0.35) POLBGAAKDM4EHTTPKM
SCHEMBL2141893 0.83 CACNA1B (0.38) ADORA2BMAPK14CYP11B2

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 ADRA2A 4624/4885ADRA2B 4677/4885ADRA2C 3510/4885

“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.