SCHEMBL2412464

SCHEMBL2412464

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2ccc(C)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM1A O60341 4/20 0.34
FYN P06241 2/20 0.33
PDE10A Q9Y233 1/20 0.32
HPGDS O60760 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL2412465 1.00 DHODH (0.36) DHODHCYP3A4CYP2A6KDM1AFYN
SCHEMBL2410305 0.90 HPGDS (0.34) DHODHKDM1AFYNHPGDSTP53
SCHEMBL2410307 0.90 HPGDS (0.34) DHODHKDM1AFYNHPGDSTP53
SCHEMBL3395491 0.89 CYP3A4 (0.34) CYP3A4CYP2A6FYN
SCHEMBL315175 0.89 CYP3A4 (0.34) CYP3A4CYP2A6FYN
SCHEMBL2410743 0.86 ABL1 (0.39) CYP2A6FYNMEN1NPC1MAPT
SCHEMBL2410744 0.86 ABL1 (0.39) CYP2A6FYNMEN1NPC1MAPT
SCHEMBL2411860 0.86 ABL1 (0.37) CYP3A4MEN1NPC1MAPTRAB9A
SCHEMBL2411863 0.86 ABL1 (0.37) CYP3A4MEN1NPC1MAPTRAB9A
SCHEMBL2411945 0.85 PIM2 (0.38) FYNMAPTKMT2APIK3CA

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 DHODH 83/4885CYP3A4 86/4885CYP2A6 131/4885

“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.