SCHEMBL2410909

SCHEMBL2410909

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2cccnc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
MGLL Q99685 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
DHODH Q02127 8/20 0.34
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
SYK P43405 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL2410913 1.00 ABL1 (0.37) ABL1MGLLMKNK1MKNK2DHODH
SCHEMBL2415464 0.91 PRMT5 (0.36) DHODH
SCHEMBL2415462 0.91 PRMT5 (0.36) DHODH
SCHEMBL2409951 0.90 RXFP1 (0.36) DHODH
SCHEMBL2409949 0.90 RXFP1 (0.36) DHODH
SCHEMBL2412528 0.89 ABL1 (0.35) ABL1DHODHSYK
SCHEMBL2412530 0.89 ABL1 (0.35) ABL1DHODHSYK
SCHEMBL3400440 0.89 ABL1 (0.36) ABL1MKNK1MKNK2DHODH
SCHEMBL315015 0.89 ABL1 (0.36) ABL1MKNK1MKNK2DHODH
SCHEMBL2416234 0.86 DHODH (0.37) DHODHHCRTR1HCRTR2

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 ABL1 2708/4885MGLL 2248/4885MKNK1 2501/4885

“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.