SCHEMBL5954768

SCHEMBL5954768

COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Oc4ccc(C(=O)N5CCOCC5)cc4)cc3)NC(=O)NC1=O)C2

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.82
TNF P01375 1/20 0.59

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
SCHEMBL5955161 0.98 ADAM17 (0.86) ADAM17TNF
SCHEMBL5955623 0.93 ADAM17 (0.72) ADAM17TNF
SCHEMBL5954909 0.90 ADAM17 (1.00) ADAM17TNF
SCHEMBL10131244 0.89 ADAM17 (0.76) ADAM17TNF
SCHEMBL12860699 0.85 ADAM17 (1.00) ADAM17TNF
SCHEMBL5954878 0.85 ADAM17 (0.76) ADAM17TNF
SCHEMBL5955491 0.84 ADAM17 (0.81) ADAM17TNF
SCHEMBL5956057 0.84 ADAM17 (0.81) ADAM17TNF
SCHEMBL5955196 0.83 ADAM17 (0.95) ADAM17TNF
SCHEMBL5955119 0.83 ADAM17 (0.95) ADAM17TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178553-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-8178553-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-20100120838-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-05-13 US disclosed
US-20100120838-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-05-13 US disclosed
US-7683088-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-7683088-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-20070265299-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-11-15 US disclosed
US-20070265299-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-11-15 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 (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-20100120838-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885TNF 5/4885
US-20070265299-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885TNF 5/4885

“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.