SCHEMBL5771257

SCHEMBL5771257

CC(C)(C)C(=O)OCn1c(=O)c2c(nc(Cl)n2-c2ccccc2C=O)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
PRTN3 P24158 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6383869 0.92 P2RX3 (0.35)
SCHEMBL6383876 0.87
SCHEMBL2962650 0.81 ALDH1A1 (0.38) POLBGAANPSR1ALDH1A1HSD17B10
SCHEMBL5772759 0.81 PDE4A (0.35) ELANEPRTN3POLBGAANPSR1
SCHEMBL23146029 0.80 KMT2A (0.41) POLBGAANPSR1ADORA3ALDH1A1
SCHEMBL5718924 0.80 BACE1 (0.41) ADORA3
SCHEMBL6409570 0.73 MAOB (0.38) GAANPSR1ADORA3ALDH1A1HSD17B10
SCHEMBL5719066 0.73 BACE1 (0.36) GAAADORA3
SCHEMBL2964029 0.73 KMT2A (0.37) POLBGAANPSR1ALDH1A1HSD17B10
SCHEMBL29850138 0.72 CNR1 (0.41)

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-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ELANE 2327/4885PRTN3 1061/4885POLB 4529/4885

“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.