SCHEMBL6098940

SCHEMBL6098940

COc1ccc(C(CC(=O)O)N2Cc3ccccc3C2=O)cc1OC1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.75
PDE4B Q07343 6/20 0.75
PDE4C Q08493 6/20 0.75
PDE4D Q08499 6/20 0.75
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TNF P01375 1/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 3/20 0.55

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
SCHEMBL4850929 0.91 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL825613 0.90 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5905281 0.90 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5941294 0.90 TNF (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6703914 0.90 TNF (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4445016 0.90 TNF (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4919222 0.87 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4637167 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637688 0.85 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6099978 0.85 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMEN1

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 7 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
US-6656964-B2 Reducing levels of tumor necrosis factor alpha; inhibition of undesireable levels of matrix metalloproteinases CELGENE CORPORATION 2003-12-02 US disclosed
EP-1035848-B1 SUBSTITUTED ALKANOHYDROXAMIC ACIDS AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2003-04-23 EP disclosed
US-20010049371-A1 Method of inhibiting phosphodiesterases with substituted alkanohydroxamic acids CALGENE CORPORATION 2001-12-06 US disclosed
US-6214857-B1 REDUCES TUMOR NECROSIS FACTOR LEVELS CELGENE CORPORATION 2001-04-10 US disclosed
CN-1265590-A Substituted alkanohydroxamic acid and method of reducing TNF 'alpha' levels CELGENE CORP (US) 2000-09-06 CN 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 (2 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
US-20010049371-A1 Method of inhibiting phosphodiesterases with substituted alkanohydroxamic acids PDE3A, PDE2A, PDE3B PDE4A 6/4885PDE4B 15/4885PDE4C 14/4885

“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.