SCHEMBL13201374

SCHEMBL13201374

COC(=O)N[C@](C#Cc1cncc(-c2cnn(C)c2)c1)(CN1Cc2ccc(OC)cc2C1=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 18/20 0.46
ADAM17 P78536 2/20 0.44

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
SCHEMBL15267864 0.86 TNF (0.46) TNFADAM17
SCHEMBL15267875 0.84 TNF (0.60) TNFADAM17
SCHEMBL13201371 0.84 ADAM17 (0.54) TNFADAM17
SCHEMBL13201366 0.84 ADAM17 (0.54) TNFADAM17
SCHEMBL13218919 0.82 TNF (0.41) TNFADAM17
SCHEMBL10112716 0.79 TNF (0.47) TNFADAM17
SCHEMBL13201393 0.79 TNF (0.42) TNFADAM17
SCHEMBL10263860 0.79 ADAM17 (0.42) TNFADAM17
SCHEMBL10112700 0.77 TNF (0.61) TNFADAM17
SCHEMBL13201458 0.77 ADAM17 (0.46) TNFADAM17

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 4 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
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 TNF 5/4885ADAM17 13/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TNF 5/4885ADAM17 13/4885

“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.