SCHEMBL4089586

SCHEMBL4089586

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
ADORA2A P29274 2/20 0.45
ENPP1 P22413 2/20 0.45
NT5E P21589 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
DOT1L Q8TEK3 3/20 0.43
ALDH1A1 P00352 1/20 0.42
AHCY P23526 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HBB P68871 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL5065501 1.00 EGFR (0.46) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13928911 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPK1HBB
SCHEMBL4910722 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPK1HBB
SCHEMBL5065503 0.83 EGFR (0.46) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13749328 0.83 ENPP1 (0.53) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL13723744 0.81 ENPP1 (0.57) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL8444902 0.79 MEN1 (0.64) MEN1KMT2AMAPK1HBB
SCHEMBL13724155 0.78 MEN1 (0.65) EGFRADORA2AENPP1NT5EPI4KA
SCHEMBL14986937 0.77 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPK1HBB
Hydrochloric Acid SCHEMBL4095590 0.76 MAPK1 (0.64) EGFRADORA2AENPP1NT5EPI4KA

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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases TERT, POLRMT, RNASE1 EGFR 2253/4885ADORA2A 1461/4885ENPP1 214/4885

“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.