SCHEMBL3257330

SCHEMBL3257330

COc1ccc(CNc2ccc(C(=O)Nc3cccc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)sc34)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.74
▸ MAPK9 P45984 1/20 0.74
▸ MAPK14 Q16539 4/20 0.54
▸ HDAC1 Q13547 3/20 0.51
▸ BRAF P15056 11/20 0.42
▸ GSK3A P49840 1/20 0.38

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
SCHEMBL13798004 0.95 LYN (0.74) LYNMAPK9MAPK14HDAC1BRAF
SCHEMBL13797971 0.94 LYN (0.76) LYNMAPK9MAPK14HDAC1BRAF
SCHEMBL13797963 0.90 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13797965 0.88 LYN (0.84) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL13797964 0.87 LYN (0.82) LYNMAPK9MAPK14BRAF
SCHEMBL13797960 0.86 LYN (0.74) LYNMAPK9MAPK14BRAF
SCHEMBL13797976 0.86 LYN (0.80) LYNMAPK9MAPK14BRAF
SCHEMBL3255234 0.85 LYN (1.00) LYNMAPK9MAPK14BRAF
SCHEMBL13359165 0.85 LYN (0.79) LYNMAPK9MAPK14BRAF
SCHEMBL13798003 0.85 LYN (0.78) LYNMAPK9MAPK14BRAF

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
EP-1497278-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-19 — — EP disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
WO-2003087085-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 — — WO 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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B LYN 2917/4885MAPK9 1942/4885MAPK14 2121/4885

“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.

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