SCHEMBL4861591

SCHEMBL4861591

COC(=O)c1cncc(O[C@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CYP2A6 P11509 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HIF1A Q16665 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PSMD14 O00487 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CYP19A1 P11511 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
SCHEMBL4861585 1.00 ATM (0.39) ATMCYP2A6CYP11B1CYP11B2GRM5
SCHEMBL2137712 0.90 CYP1A2 (0.32) CYP11B1CYP11B2
SCHEMBL2137701 0.90 CYP1A2 (0.32) CYP11B1CYP11B2
SCHEMBL1974498 0.84 ATM (0.31) ATMKDM4E
SCHEMBL1974499 0.84 ATM (0.31) ATMKDM4E
SCHEMBL316434 0.83 MKNK1 (0.40) CYP11B1CYP11B2
SCHEMBL3399894 0.83 MKNK1 (0.40) CYP11B1CYP11B2
SCHEMBL2140923 0.83 CASP3 (0.31)
SCHEMBL1974786 0.83 ABHD6 (0.36)
SCHEMBL1972648 0.83 CHRNB2 (0.36)

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-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 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-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS ATM 4112/4885CYP2A6 80/4885CYP11B1 202/4885

“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.