SCHEMBL6098481

SCHEMBL6098481

CCOc1cc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
TNF P01375 10/20 0.85

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
SCHEMBL3120500 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6692793 0.94 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098580 0.93 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL21215174 0.92 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6691297 0.92 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6690004 0.92 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3121844 0.92 TNF (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098458 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6554664 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977590 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091356-B2 Substituted alkanohydroxamic acids and method of reducing TNFα levels CELGENE CORPORATION 2006-08-15 US disclosed
US-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels CELGENE CORPORATION 2004-01-08 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-20040006096-A1 Substituted alkanohydroxamic acids and method of reducing TNFalpha levels TNF, TNFRSF1A, LTA PDE4A 10/4885PDE4B 54/4885PDE4C 37/4885

“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.