SCHEMBL10112013

SCHEMBL10112013

COC(=O)NC(C#C[Si](C)(C)C)(CN1Cc2ccc(OC)cc2C1=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.43
TNF P01375 9/20 0.42

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
SCHEMBL10112103 1.00 ADAM17 (0.43) ADAM17TNF
SCHEMBL12878375 0.87 ADAM17 (0.44) ADAM17TNF
SCHEMBL10112007 0.87 ADAM17 (0.43) ADAM17TNF
SCHEMBL10112111 0.85 ADAM17 (0.44) ADAM17TNF
SCHEMBL6008403 0.84 ADAM17 (0.42) ADAM17TNF
SCHEMBL13201492 0.84 DRD2 (0.41) ADAM17TNF
SCHEMBL13895587 0.82 ADAM17 (0.34) ADAM17TNF
SCHEMBL10263491 0.82 ADAM17 (0.41) ADAM17TNF
SCHEMBL10263860 0.81 ADAM17 (0.42) ADAM17TNF
SCHEMBL5955645 0.81 ADAM17 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8450355-B2 Compounds for the treatment of inflammatory diseases MERCK SHARP & DOHME CORP. (US) 2013-05-28 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20110288077-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES SCHERING CORPORATION (US) 2011-11-24 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 (3 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-20110288077-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, ADAMTS13, MMP11 ADAM17 13/4885TNF 1/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ADAM17 8/4885TNF 1/4885
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.