SCHEMBL1828096

SCHEMBL1828096

CCOc1cc(C(CCC(=O)N(CC(C)(C)OC(=O)O)OC(C)(C)C)N2Cc3cccc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
PDE4A P27815 14/20 0.37
PDE4B Q07343 14/20 0.37
PDE4C Q08493 14/20 0.37
PDE4D Q08499 14/20 0.37
TP53 P04637 1/20 0.36
HTR2B P41595 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1826872 1.00 TNF (0.40) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1826871 0.86 TNF (0.41) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1826997 0.85 PDE4B (0.39) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL3523754 0.82 TNF (0.43) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3531499 0.82 TNF (0.43) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3523757 0.81 UTS2R (0.47) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8313746 0.81 TNF (0.42) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1826156 0.81 TNF (0.48) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1826154 0.81 TNF (0.48) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL27942400 0.78 TNF (0.45) TNFPDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076369-B2 N-alkyl-hydroxamic acid-isoindolyl compounds and their pharmaceutical uses CELGENE CORPORATION (US) 2011-12-13 US disclosed
EP-1606256-B1 N-ALKYL-HYDROXAMIC ACID-ISOINDOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USES CELGENE CORP (US) 2011-05-04 EP disclosed
US-20100267800-A1 N-Alkyl-Hydroxamic Acid-Isoindolyl Compounds and Their Pharmaceutical Uses CELGENE CORPORATION 2010-10-21 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-20100267800-A1 N-Alkyl-Hydroxamic Acid-Isoindolyl Compounds and Their Pharmaceutical Uses PDE4A, PDE12, PDE4B TNF 2494/4885PDE4A 1/4885PDE4B 3/4885

“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.