SCHEMBL4862641

SCHEMBL4862641

COc1ccc(C(C)N2C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.64
PDE4A P27815 8/20 0.62
PDE4B Q07343 8/20 0.62
PDE4C Q08493 8/20 0.62
PDE4D Q08499 8/20 0.62
UTS2R Q9UKP6 3/20 0.60
NR1H3 Q13133 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL4861169 0.84 TNF (0.64) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7400893 0.82 TNF (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL562990 0.81 TNF (0.65) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6289242 0.81 TNF (0.65) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6288891 0.81 TNF (0.65) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7458758 0.81 TNF (0.65) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7431167 0.80 TNF (0.73) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7444069 0.80 TNF (0.81) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL16321910 0.80 TNF (0.58) TNFNR1H3MAPT
SCHEMBL16321909 0.80 TNF (0.58) TNFNR1H3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800514-B1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORP (US) 2006-08-23 EP claimed
US-7329761-B2 Substituted imides CELGENE CORPORATION (US) 2008-02-12 US disclosed
EP-0800514-B1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORP (US) 2006-08-23 EP disclosed
US-20050090516-A1 Novel substituted imides MULLER GEORGE W (US) 2005-04-28 US disclosed
US-6844359-B2 Substituted imides CELGENE CORPORATION (US) 2005-01-18 US disclosed
US-20020143027-A1 Novel substituted imides MULLER GEORGE W (US) 2002-10-03 US disclosed
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US disclosed
EP-0800514-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS 1996-09-26 WO disclosed
WO-1996020926-A1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORPORATION (US) 1996-07-11 WO 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-20020143027-A1 Novel substituted imides TNF, MIF, TNFRSF1A TNF 1/4885PDE4A 4093/4885PDE4B 4323/4885
US-20050090516-A1 Novel substituted imides TNF, MIF, TNFRSF1A TNF 1/4885PDE4A 4100/4885PDE4B 4336/4885

“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.