SCHEMBL1070436

SCHEMBL1070436

COc1cc2[nH]c(=O)cc(O[C@H]3CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C3)c2cc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.34
PDE4A P27815 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
RORC P51449 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ALK Q9UM73 2/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL1073873 0.87 PDE4B (0.35) PDE4BPDE4APDE4CPDE4D
SCHEMBL1072461 0.79 SMN1; SMN2 (0.35) PDE4BPDE4APDE4CPDE4DRORC
SCHEMBL2430722 0.78 PIK3CD (0.38)
SCHEMBL8203448 0.77 CCNT1 (0.39) PDE4BPDE4APDE4CPDE4DGRIN2D
SCHEMBL3305623 0.71 NCEH1 (0.40) RORC
SCHEMBL5458764 0.71 ERBB2 (0.44)
SCHEMBL5466136 0.71 ERBB2 (0.44)
SCHEMBL1068681 0.71 KDM4E (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL2891999 0.71 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23942085 0.70 NR1H2 (0.36) RORC

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 PDE4B 3086/4885PDE4A 3218/4885PDE4C 3699/4885

“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.