SCHEMBL4599538

SCHEMBL4599538

NCCCC[C@H](NC(=O)CNc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SLC6A5 Q9Y345 1/20 0.44
SLC15A2 Q16348 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
SHMT1 P34896 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
SCHEMBL4599544 1.00 FOLH1 (0.49) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4598827 0.87 CA1 (0.47) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4598833 0.87 CA1 (0.47) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4889077 0.86 FOLH1 (0.54) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4888941 0.86 CA1 (0.45) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4889060 0.86 FOLH1 (0.54) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4888928 0.86 CA1 (0.45) FOLH1CA1CA2SLC6A5SLC15A2
SCHEMBL4600027 0.83 LTA4H (0.48) CA1CA2MMP2MMP9
SCHEMBL4600018 0.83 LTA4H (0.48) CA1CA2MMP2MMP9
SCHEMBL4598870 0.82 FOLH1 (0.57) FOLH1SLC6A5

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 4 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
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 FOLH1 771/4885CA1 4464/4885CA2 4735/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FOLH1 1486/4885CA1 4583/4885CA2 4185/4885

“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.