SCHEMBL5405953

SCHEMBL5405953

CC(C)C(=O)C(C)(C)c1c(C(N)=O)cccc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ BCAT2 O15382 1/20 0.40
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ CHEK2 O96017 5/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ AOC3 Q16853 1/20 0.33

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
SCHEMBL3033958 0.73 HDAC6 (0.50) BCAT2
SCHEMBL29941849 0.72 MKNK1 (0.55) MKNK1MKNK2BCAT2KEAP1NFE2L2
SCHEMBL8668460 0.71 BCAT2 (0.74) MKNK1MKNK2BCAT2KEAP1NFE2L2
SCHEMBL6273046 0.71 MKNK1 (0.44) MKNK1MKNK2BCAT2KEAP1NFE2L2
SCHEMBL3453931 0.70 HNF4A (0.53) MKNK1MKNK2BCAT2KEAP1NFE2L2
SCHEMBL28262741 0.69 PARP1 (0.48) BCAT2
SCHEMBL2943710 0.68 MKNK1 (0.50) MKNK1MKNK2BCAT2KEAP1NFE2L2
SCHEMBL28264223 0.67 MKNK1 (0.61) MKNK1MKNK2BCAT2CHEK2PARP10
SCHEMBL4067133 0.66 CA12 (0.57) MKNK1MKNK2BCAT2CHEK2PARP10
SCHEMBL21629968 0.66 BCAT2 (0.46) BCAT2KEAP1NFE2L2PDK2IKBKB

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-7271289-B2 Biphenylcarboxylic amide derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 — — US disclosed
US-20060241179-A1 Biphenylcarboxylic amide derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 — — 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-20060241179-A1 Biphenylcarboxylic amide derivatives as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 MKNK1 86/4885MKNK2 85/4885BCAT2 1199/4885

“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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