SCHEMBL2408956

SCHEMBL2408956

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2cc(Cl)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 1/20 0.37
KMO O15229 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
CNR1 P21554 1/20 0.33
GRM5 P41594 3/20 0.32
FYN P06241 1/20 0.31
ABL1 P00519 2/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 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
SCHEMBL2408960 1.00 WNK1 (0.37) WNK1KMOMAPKAPK2CNR1GRM5
SCHEMBL2410744 0.90 ABL1 (0.39) WNK1KMOCNR1FYNABL1
SCHEMBL2410743 0.90 ABL1 (0.39) WNK1KMOCNR1FYNABL1
SCHEMBL2411860 0.88 ABL1 (0.37) CNR1GRM5ABL1MAPTCYP2C19
SCHEMBL2411863 0.88 ABL1 (0.37) CNR1GRM5ABL1MAPTCYP2C19
SCHEMBL2411945 0.86 PIM2 (0.38) FYNABL1MAPTDYRK1A
SCHEMBL2411942 0.86 PIM2 (0.38) FYNABL1MAPTDYRK1A
SCHEMBL2413274 0.85 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2413277 0.85 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2409554 0.84 RORB (0.35)

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 WNK1 3733/4885KMO 782/4885MAPKAPK2 3748/4885

“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.