SCHEMBL4599694

SCHEMBL4599694

NCCC[C@@H](NC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.62
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
FPR2 P25090 1/20 0.55
NOX1 Q9Y5S8 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL4600154 1.00 LTA4H (0.62) LTA4HCA12CA1CA2CA9
SCHEMBL4599698 1.00 LTA4H (0.62) LTA4HCA12CA1CA2CA9
SCHEMBL4598883 0.97 LTA4H (0.67) LTA4HCA12CA1CA2CA9
SCHEMBL4599431 0.97 LTA4H (0.67) LTA4HCA12CA1CA2CA9
SCHEMBL4600092 0.97 LTA4H (0.67) LTA4HCA12CA1CA2CA9
SCHEMBL4598882 0.96 LTA4H (0.66) LTA4HCA12CA1CA2CA9
SCHEMBL4598874 0.96 LTA4H (0.66) LTA4HCA12CA1CA2CA9
SCHEMBL4881631 0.89 FPR2 (0.55) LTA4HCA12CA1CA2CA9
SCHEMBL4881619 0.89 FPR2 (0.55) LTA4HCA12CA1CA2CA9
SCHEMBL4599880 0.88 LTA4H (0.59) LTA4HCA12CA1CA2CA9

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 LTA4H 2507/4885CA12 3040/4885CA1 4464/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH LTA4H 1884/4885CA12 4051/4885CA1 4583/4885

“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.