SCHEMBL452060

SCHEMBL452060

CC(C)(C)OC(=O)NC1CC(=O)NC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
EPHX2 P34913 1/20 0.48
BTK Q06187 1/20 0.47
CTSK P43235 2/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
BUB1 O43683 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL570801 0.83 GAA (0.54) GAANFKB1NFKB2RELAEPHX2
SCHEMBL15595143 0.83 EPHX2 (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL6815007 0.83 EPHX2 (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL3735359 0.83 EPHX2 (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL28447463 0.82 EPHX2 (0.69) GAANFKB1NFKB2RELAEPHX2
SCHEMBL19968080 0.80 GAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL4988935 0.80 GAA (0.49) GAANFKB1NFKB2RELAEPHX2
SCHEMBL23513495 0.79 GAA (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL14277693 0.79 GAA (0.59) GAANFKB1NFKB2RELAEPHX2
SCHEMBL4760856 0.79 GAA (0.59) GAANFKB1NFKB2RELAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481558-B2 Compounds to inhibit or augment an inflammatory response CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-09 US disclosed
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-03-15 US disclosed
EP-2386565-A2 Compounds and methods to inhibit or augment an inflammatory response Cambridge Enterprise Ltd. (GB) 2011-11-16 EP disclosed
US-7989466-B2 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-02 US disclosed
US-20080045557-A1 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. 2008-02-21 US disclosed
US-7238711-B1 Compounds and methods to inhibit or augment an inflammatory response CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2007-07-03 US disclosed
EP-1141011-A2 COMPOUNDS AND METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE NEORX CORPORATION (US) 2001-10-10 EP disclosed
WO-2000042071-A2 COMPOUNDS AND METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2000-07-20 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 (2 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-20080045557-A1 Administering chemokine peptides, variants, and derivatives thereof, as well as chemokine peptide analogs to modulate the migration or recruitment of leukocytes to a preselected physiological site CCL2, CCL11, CCL5 GAA 4660/4885NFKB1 941/4885NFKB2 1336/4885
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CCL2, CCL5, CCL11 GAA 3763/4885NFKB1 270/4885NFKB2 357/4885

“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.