SCHEMBL1073873

SCHEMBL1073873

C=Cc1cc2c(O[C@H]3CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)O)C3)cc(=O)[nH]c2cc1OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.35
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
STING1 Q86WV6 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
SCHEMBL1070436 0.87 PDE4B (0.34) PDE4BPDE4APDE4CPDE4D
SCHEMBL1071024 0.80 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DSTING1
SCHEMBL1072632 0.80 SMN1; SMN2 (0.36) PDE4B
SCHEMBL2427449 0.79 PIK3CD (0.38) PDE4BF13A1TGM2TGM1
SCHEMBL8221384 0.78 PDE4B (0.39) PDE4BF13A1TGM2TGM1PDE4A
SCHEMBL1274041 0.71 ACACB (0.34)
SCHEMBL1083353 0.70 RAB9A (0.36)
SCHEMBL1072471 0.70 RAB9A (0.36)
SCHEMBL3302407 0.70 GPR119 (0.36)
SCHEMBL3305629 0.69 ADRB2 (0.35) PDE4BPDE4APDE4CPDE4D

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 3086/4885F13A1 741/4885TGM2 1841/4885

“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.