SCHEMBL13201499

SCHEMBL13201499

COC(=O)N[C@](C#Cc1ccc(C(=O)NS(=O)(=O)C2CC2)cc1)(CN1CCc2ccc(OC)cc2C1=O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.42
TNF P01375 15/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL13201500 0.87 ADAM17 (0.41) ADAM17TNFDRD2DRD4
SCHEMBL13201393 0.79 TNF (0.42) ADAM17TNF
SCHEMBL13201491 0.79 TNF (0.55) ADAM17TNFDRD2DRD4
SCHEMBL13201492 0.78 DRD2 (0.41) ADAM17TNFDRD2DRD4
SCHEMBL13201493 0.77 DRD2 (0.43) ADAM17TNFDRD2DRD4
SCHEMBL13889347 0.77 ADAM17 (0.68) ADAM17TNF
SCHEMBL13201487 0.74 TNF (0.48) ADAM17TNF
SCHEMBL13201489 0.73 AOC3 (0.40)
SCHEMBL8227926 0.72 AOC3 (0.44)
SCHEMBL13218583 0.72 DRD2 (0.41) ADAM17TNFHDAC1HDAC6DRD2

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-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885TNF 5/4885HDAC1 458/4885

“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.