SCHEMBL6750153

SCHEMBL6750153

CC(C)(C)OC(=O)N1[C@@H](C[C@H](SC(=O)c2ccccc2)c2ccccc2)COC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
BRD4 O60885 1/20 0.36
HSD11B2 P80365 1/20 0.34
ATM Q13315 2/20 0.33
GPR119 Q8TDV5 2/20 0.32
ABCB1 P08183 2/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
RORC P51449 2/20 0.31
NAMPT P43490 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL6750156 1.00 KDM4E (0.37) KDM4EPKMSPHK1BRD4HSD11B2
SCHEMBL6232927 0.87 CYP2D6 (0.33)
SCHEMBL6746218 0.87 CYP2D6 (0.33)
SCHEMBL4595234 0.87 CYP2D6 (0.33)
SCHEMBL6746223 0.87 CYP2D6 (0.33)
SCHEMBL16160965 0.86 BRD4 (0.34) KDM4EPKMSPHK1BRD4HSD11B2
SCHEMBL6186128 0.83 CYP2D6 (0.42) KDM4EPKMSPHK1BRD4HSD11B2
SCHEMBL6186125 0.83 CYP2D6 (0.42) KDM4EPKMSPHK1BRD4HSD11B2
SCHEMBL6752549 0.78 ITGB3 (0.37) KDM4E
SCHEMBL6748055 0.77 CYP2D6 (0.39) SPHK1BRD4HSD11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 KDM4E 2387/4885PKM 2306/4885SPHK1 1994/4885

“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.