SCHEMBL10131033

SCHEMBL10131033

COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C)NC(=O)NC4=O)cc3C)NC(=O)NC1=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 14/20 1.00
ADAM17 P78536 6/20 0.76

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
SCHEMBL8227589 0.88 TNF (0.87) TNFADAM17
SCHEMBL13200827 0.87 ADAM17 (0.79) TNFADAM17
SCHEMBL8227024 0.86 ADAM17 (1.00) TNFADAM17
SCHEMBL13201262 0.86 ADAM17 (0.79) TNFADAM17
SCHEMBL13200378 0.84 TNF (0.75) TNFADAM17
SCHEMBL13200545 0.84 TNF (0.75) TNFADAM17
SCHEMBL13201296 0.83 TNF (0.77) TNFADAM17
SCHEMBL13218737 0.83 ADAM17 (0.87) TNFADAM17
SCHEMBL13201269 0.83 TNF (0.78) TNFADAM17
SCHEMBL13200391 0.82 ADAM17 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
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 TNF 1/4885ADAM17 7/4885

“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.