SCHEMBL2408685

SCHEMBL2408685

Cc1n[nH]c(C)c1-c1cccc(O[C@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
AKT2 P31751 1/20 0.41
FASN P49327 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
FABP4 P15090 1/20 0.35
ABL1 P00519 1/20 0.35
BRD4 O60885 2/20 0.33
BRD3 Q15059 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
IKBKB O14920 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
IKBKE Q14164 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ACVR1 Q04771 1/20 0.32
HAO2 Q9NYQ3 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
SCHEMBL2408684 1.00 CHEK1 (0.41) CHEK1AKT2FASNROCK2ROCK1
SCHEMBL2410907 0.87 IKBKB (0.37) IKBKBIKBKEHAO2
SCHEMBL2410903 0.87 IKBKB (0.37) IKBKBIKBKEHAO2
SCHEMBL314590 0.85 MKNK1 (0.38) CHEK1AKT2ABL1BRD4MKNK1
SCHEMBL314591 0.85 MKNK1 (0.38) CHEK1AKT2ABL1BRD4MKNK1
SCHEMBL2411015 0.81 COMT (0.34)
SCHEMBL2411019 0.81 COMT (0.34)
SCHEMBL2410469 0.80 BRD4 (0.51) BRD4BRD3
SCHEMBL2410464 0.80 BRD4 (0.51) BRD4BRD3
SCHEMBL2410894 0.80 HTR7 (0.40) BRD4MAPT

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 CHEK1 4651/4885AKT2 3493/4885FASN 1458/4885

“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.