SCHEMBL2417680

SCHEMBL2417680

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(C)c(Cl)cc2-c2ccnn2-c2ccccc2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
PDE10A Q9Y233 3/20 0.31
SCN9A Q15858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL2417678 1.00 PTGER1 (0.35) PTGER1POLBMAPK1SMN1; SMN2MAPT
SCHEMBL2411487 0.80 MAPT (0.35) PTGER1POLBMAPK1SMN1; SMN2MAPT
SCHEMBL2409725 0.80 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2411490 0.80 MAPT (0.35) PTGER1POLBMAPK1SMN1; SMN2MAPT
SCHEMBL2409729 0.80 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2410961 0.69 CYP1A2 (0.39) POLBSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL2410966 0.69 CYP1A2 (0.39) POLBSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1975334 0.69 KDM4E (0.35) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1975331 0.69 KDM4E (0.35) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL2412056 0.69 BRD4 (0.32)

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 PTGER1 318/4885POLB 3076/4885MAPK1 3460/4885

“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.