SCHEMBL4598833

SCHEMBL4598833

NCCCCC(NC(=O)CNc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
FOLH1 Q04609 3/20 0.46
CPB2 Q96IY4 2/20 0.46
SLC6A5 Q9Y345 1/20 0.44
SLC15A2 Q16348 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
HDAC1 Q13547 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
PYGL P06737 1/20 0.39
C3AR1 Q16581 1/20 0.39

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
SCHEMBL4598827 1.00 CA1 (0.47) CA1CA2FOLH1CPB2SLC6A5
SCHEMBL4599538 0.87 FOLH1 (0.49) CA1CA2FOLH1SLC6A5SLC15A2
SCHEMBL4599544 0.87 FOLH1 (0.49) CA1CA2FOLH1SLC6A5SLC15A2
SCHEMBL4889467 0.86 MEN1 (0.46) CA1CA2FOLH1SLC6A5MMP2
SCHEMBL4889478 0.86 MEN1 (0.46) CA1CA2FOLH1SLC6A5MMP2
SCHEMBL4888941 0.84 CA1 (0.45) CA1CA2FOLH1SLC6A5SLC15A2
SCHEMBL4888928 0.84 CA1 (0.45) CA1CA2FOLH1SLC6A5SLC15A2
SCHEMBL4600027 0.83 LTA4H (0.48) CA1CA2MMP2MMP9HDAC1
SCHEMBL4600018 0.83 LTA4H (0.48) CA1CA2MMP2MMP9HDAC1
SCHEMBL4600366 0.82 FOLH1 (0.57) CA1CA2FOLH1CPB2SLC6A5

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

“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.