SCHEMBL4600705

SCHEMBL4600705

NCCCCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.52
FPR2 P25090 2/20 0.52
JAK2 O60674 2/20 0.52
LTA4H P09960 5/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
FOLH1 Q04609 2/20 0.50
NPY5R Q15761 1/20 0.50
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48

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
SCHEMBL4600700 1.00 CYP2C9 (0.54) CYP2C9CYP2C19MAPK1FPR2JAK2
SCHEMBL4889144 0.90 MAPK1 (0.49) MAPK1CA1CA2FOLH1CA12
SCHEMBL4889124 0.90 MAPK1 (0.49) MAPK1CA1CA2FOLH1CA12
SCHEMBL28216420 0.88 FOLH1 (0.61) FPR2CA1CA2FOLH1
SCHEMBL4600525 0.86 FPR2 (0.62) MAPK1FPR2CA1CA2FOLH1
SCHEMBL4600517 0.86 FPR2 (0.62) MAPK1FPR2CA1CA2FOLH1
SCHEMBL4599431 0.86 LTA4H (0.67) FPR2LTA4HCA1CA2CA12
SCHEMBL4598883 0.86 LTA4H (0.67) FPR2LTA4HCA1CA2CA12
SCHEMBL4600092 0.86 LTA4H (0.67) FPR2LTA4HCA1CA2CA12
SCHEMBL4598874 0.85 LTA4H (0.66) FPR2LTA4HCA1CA2CA12

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 CYP2C9 1102/4885CYP2C19 3069/4885MAPK1 3620/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CYP2C9 4853/4885CYP2C19 4686/4885MAPK1 3326/4885

“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.