SCHEMBL4599991

SCHEMBL4599991

CCCCOc1ccc(NC(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.54
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
MAPT P10636 1/20 0.49
EPHX2 P34913 1/20 0.49
FOLH1 Q04609 1/20 0.47
LTA4H P09960 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4599996 1.00 FPR2 (0.54) FPR2ITGB3ITGA2BCA1CA2
SCHEMBL4600517 0.87 FPR2 (0.62) FPR2CA1CA2FOLH1
SCHEMBL4600525 0.87 FPR2 (0.62) FPR2CA1CA2FOLH1
SCHEMBL4598883 0.84 LTA4H (0.67) FPR2ITGB3ITGA2BCA1CA2
SCHEMBL4600092 0.84 LTA4H (0.67) FPR2ITGB3ITGA2BCA1CA2
SCHEMBL4599431 0.84 LTA4H (0.67) FPR2ITGB3ITGA2BCA1CA2
SCHEMBL4600700 0.83 CYP2C9 (0.54) FPR2CA1CA2CA12CA9
SCHEMBL4600705 0.83 CYP2C9 (0.54) FPR2CA1CA2CA12CA9
SCHEMBL4598874 0.83 LTA4H (0.66) FPR2ITGB3ITGA2BCA1CA2
SCHEMBL4598882 0.83 LTA4H (0.66) FPR2ITGB3ITGA2BCA1CA2

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
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 FPR2 3112/4885ITGB3 1550/4885ITGA2B 2449/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FPR2 3738/4885ITGB3 4006/4885ITGA2B 3909/4885

“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.