SCHEMBL4919601

SCHEMBL4919601

CC(=O)OCc1cccc(N(C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NQO2 P16083 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CREBBP Q92793 1/20 0.31
TTK P33981 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
GBA1 P04062 1/20 0.30
MEN1 O00255 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
SCHEMBL852583 0.84 PAX8 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL23131099 0.84 PAX8 (0.40) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL14182011 0.84 PAX8 (0.40) PAX8CYP1A2CYP2C19BRD4IRAK4
SCHEMBL12705243 0.83 ACHE (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL14270683 0.83 PAX8 (0.39) PAX8CYP1A2CYP2C19BRD4IRAK4
SCHEMBL4638852 0.82 PAX8 (0.39) PAX8ALDH1A1BRD4HTR2CSLC6A4
SCHEMBL14270690 0.81 CYP4F2 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL31128424 0.81 CYP4F2 (0.39) PAX8BRD4IRAK4HTR2CSLC6A4
SCHEMBL852663 0.80 KMT2A (0.42) PAX8ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL22493865 0.80 PAX8 (0.36) PAX8BRD4IRAK4NPSR1NQO2

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-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B PAX8 4677/4885ALDH1A1 1037/4885CYP1A2 3894/4885

“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.