SCHEMBL4001894

SCHEMBL4001894

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

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.73
▸ LYN P07948 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ BRAF P15056 6/20 0.44
▸ SCARB1 Q8WTV0 5/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13797993 0.90 MAPK14 (0.74) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797938 0.89 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359122 0.89 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797943 0.88 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13810713 0.87 MAPK14 (0.70) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797996 0.86 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797952 0.86 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797955 0.86 MAPK14 (0.64) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359242 0.85 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797936 0.85 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1

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 MAPK14 2121/4885LYN 2917/4885MAPK9 1942/4885

“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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