SCHEMBL3252708

SCHEMBL3252708

COc1c(NC(=O)c2cc3cccc(NC(=O)c4cncc(C(=O)N(C)C)c4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 1/20 0.67
▸ MAPK9 P45984 1/20 0.67
▸ MAPK14 Q16539 6/20 0.60
▸ BRAF P15056 12/20 0.42
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL13797956 0.92 LYN (0.69) LYNMAPK9MAPK14BRAFCYP1A2
SCHEMBL13797967 0.90 LYN (0.69) LYNMAPK9MAPK14BRAFCYP1A2
SCHEMBL13797958 0.89 LYN (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL3257628 0.88 LYN (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13797953 0.86 LYN (0.71) LYNMAPK9MAPK14BRAF
SCHEMBL13359242 0.86 MAPK14 (0.68) LYNMAPK9MAPK14BRAF
SCHEMBL13797952 0.85 MAPK14 (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13798007 0.85 LYN (0.71) LYNMAPK9MAPK14BRAF
SCHEMBL13797943 0.84 MAPK14 (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13798003 0.84 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 5 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
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — 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-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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