SCHEMBL10131706

SCHEMBL10131706

COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(C(=N)N4CCC4)cc3)NC(=O)NC1=O)C2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.80
TNF P01375 1/20 0.63

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
SCHEMBL10131347 0.96 ADAM17 (0.74) ADAM17TNF
SCHEMBL10131176 0.93 ADAM17 (0.70) ADAM17TNF
SCHEMBL10131343 0.93 ADAM17 (0.71) ADAM17TNF
SCHEMBL10131244 0.93 ADAM17 (0.76) ADAM17TNF
SCHEMBL7943293 0.92 ADAM17 (0.74) ADAM17
SCHEMBL10131202 0.90 ADAM17 (0.69) ADAM17TNF
SCHEMBL10131795 0.90 ADAM17 (0.68) ADAM17TNF
SCHEMBL10131664 0.90 ADAM17 (0.68) ADAM17TNF
SCHEMBL10131353 0.90 ADAM17 (0.70) ADAM17TNF
SCHEMBL10131802 0.89 ADAM17 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ADAM17 7/4885TNF 1/4885

“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.