SCHEMBL2410307

SCHEMBL2410307

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3ccc(F)cn3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.34
GRM5 P41594 3/20 0.34
KDM1A O60341 2/20 0.34
F2R P25116 1/20 0.33
WNT3A P56704 3/20 0.33
FYN P06241 2/20 0.33
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GRIA2 P42262 2/20 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
SCHEMBL2410305 1.00 HPGDS (0.34) HPGDSGRM5KDM1AF2RWNT3A
SCHEMBL2412465 0.90 DHODH (0.36) HPGDSKDM1AFYNDHODHTP53
SCHEMBL2412464 0.90 DHODH (0.36) HPGDSKDM1AFYNDHODHTP53
SCHEMBL3399106 0.89 DYRK1A (0.31) GRM5
SCHEMBL315022 0.89 DYRK1A (0.31) GRM5
SCHEMBL2411860 0.85 ABL1 (0.37) GRM5MAPT
SCHEMBL2411863 0.85 ABL1 (0.37) GRM5MAPT
SCHEMBL2416424 0.84 F2R (0.39) GRM5F2RDHODH
SCHEMBL2416421 0.84 F2R (0.39) GRM5F2RDHODH
SCHEMBL2411942 0.84 PIM2 (0.38) WNT3AFYNMAPT

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 HPGDS 32/4885GRM5 1127/4885KDM1A 3323/4885

“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.