SCHEMBL452804

SCHEMBL452804

C=CCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.56
MAPT P10636 1/20 0.56
NOD1 Q9Y239 3/20 0.54
GNPAT O15228 1/20 0.51
FOLH1 Q04609 4/20 0.50
SLC6A5 Q9Y345 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RIMKLA Q8IXN7 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
EPHX2 P34913 3/20 0.45

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
SCHEMBL452803 1.00 ABCC4 (0.56) ABCC4MAPTNOD1GNPATFOLH1
SCHEMBL2894648 0.91 SLC6A5 (0.59) ABCC4MAPTNOD1GNPATSLC6A5
SCHEMBL2897531 0.91 SLC6A5 (0.59) ABCC4MAPTNOD1GNPATSLC6A5
SCHEMBL7043975 0.88 ALDH1A1 (0.51) ABCC4MAPTNOD1GNPATSLC6A5
SCHEMBL5177232 0.88 ALDH1A1 (0.51) ABCC4MAPTNOD1GNPATSLC6A5
SCHEMBL27974510 0.87 NOD1 (0.67) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL19049826 0.85 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL19049828 0.85 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL19034801 0.85 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL13753507 0.85 NOD1 (0.65) NOD1GNPATFOLH1RIMKLANAALAD2

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 ABCC4 2633/4885MAPT 4750/4885NOD1 3028/4885
US-20120065401-A1 METHODS TO INHIBIT OR AUGMENT AN INFLAMMATORY RESPONSE CCL2, CCL5, CCL11 ABCC4 3880/4885MAPT 4741/4885NOD1 550/4885

“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.