SCHEMBL10131429

SCHEMBL10131429

COc1ccc2c(c1F)C(=O)N(C[C@@H](C#Cc1cc(F)c3c(O)n[nH]c3c1)NC(=O)NC=O)C2

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TNF P01375 20/20 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
SCHEMBL10131123 0.87 TNF (0.43) TNF
SCHEMBL10131526 0.81 TNF (0.53) TNF
SCHEMBL10131951 0.81 TNF (0.53) TNF
SCHEMBL10131000 0.78 TNF (0.56) TNF
SCHEMBL10131396 0.78 TNF (0.54) TNF
SCHEMBL10131927 0.78 TNF (0.47) TNF
SCHEMBL10131698 0.76 TNF (0.59) TNF
SCHEMBL10131704 0.75 TNF (0.47) TNF
SCHEMBL10131292 0.75 TNF (0.76) TNF
SCHEMBL13218559 0.75 ADAM17 (0.43) TNF

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 1/4885

“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.