SCHEMBL2412405

SCHEMBL2412405

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3cccnc3F)ccc2Cl)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
DHODH Q02127 4/20 0.33
CYP2C19 P33261 1/20 0.33
GRIA2 P42262 1/20 0.33
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 2/20 0.31
CYP11B1 P15538 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL2412402 1.00 CYP11B2 (0.36) CYP11B2DHODHCYP2C19GRIA2KMO
SCHEMBL2414245 0.89 EIF4E (0.38) DHODHKMOKDM4ECYP3A4ALOX12
SCHEMBL2414248 0.89 EIF4E (0.38) DHODHKMOKDM4ECYP3A4ALOX12
SCHEMBL2412244 0.86 FFAR4 (0.33) DHODHGSK3BFFAR4
SCHEMBL2412250 0.86 FFAR4 (0.33) DHODHGSK3BFFAR4
SCHEMBL2415464 0.84 PRMT5 (0.36) DHODHCYP2C19GRIA2BACE1GSK3B
SCHEMBL2415462 0.84 PRMT5 (0.36) DHODHCYP2C19GRIA2BACE1GSK3B
SCHEMBL2408349 0.84 DYRK1A (0.35) KMODYRK1A
SCHEMBL2414743 0.84 KMO (0.38) KMOKDM4ECYP3A4ALOX12TDP1
SCHEMBL2408347 0.84 DYRK1A (0.35) KMODYRK1A

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 CYP11B2 198/4885DHODH 83/4885CYP2C19 62/4885

“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.