SCHEMBL2407918

SCHEMBL2407918

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(C)c(-c2cccnc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 1/20 0.34
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2C9 P11712 2/20 0.33
SLC2A1 P11166 1/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
ACLY P53396 2/20 0.32

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
SCHEMBL2407924 1.00 KDM4E (0.35) KDM4EALDH1A1MAPTMAOACYP11B1
SCHEMBL2412982 0.88 POLB (0.30)
SCHEMBL2412985 0.88 POLB (0.30)
SCHEMBL315649 0.86 CHRNB1 (0.37) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL315650 0.86 CHRNB1 (0.37) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL2411071 0.86 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL2411065 0.86 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL2410664 0.86 CYP19A1 (0.38) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL2410659 0.86 CYP19A1 (0.38) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL2408041 0.85 ABL1 (0.38) CYP11B1CYP11B2CYP19A1MKNK1MKNK2

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 KDM4E 1719/4885ALDH1A1 1420/4885MAPT 4090/4885

“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.