SCHEMBL2409888

SCHEMBL2409888

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2ccnc(C)c2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
KMO O15229 2/20 0.35
GRM2 Q14416 3/20 0.34
ABL1 P00519 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR142 Q7Z601 1/20 0.33
FTO Q9C0B1 1/20 0.32
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
WNT3A P56704 2/20 0.32
WDR5 P61964 1/20 0.32
PORCN Q9H237 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
SCHEMBL2409890 1.00 DYRK1A (0.36) DYRK1AKMOGRM2ABL1CYP2D6
SCHEMBL2408347 0.90 DYRK1A (0.35) DYRK1AKMO
SCHEMBL2408349 0.90 DYRK1A (0.35) DYRK1AKMO
SCHEMBL2414100 0.89 KMO (0.34) DYRK1AKMOWDR5
SCHEMBL2414104 0.89 KMO (0.34) DYRK1AKMOWDR5
SCHEMBL2411645 0.89 KMO (0.35) KMO
SCHEMBL2411649 0.89 KMO (0.35) KMO
SCHEMBL2407402 0.85 KMO (0.34) KMO
SCHEMBL2407398 0.85 KMO (0.34) KMO
SCHEMBL2408955 0.85 WNT3A (0.33) ABL1WNT3A

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 DYRK1A 4436/4885KMO 782/4885GRM2 4423/4885

“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.