SCHEMBL4599000

SCHEMBL4599000

NCCCC[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.62
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
EPHX2 P34913 2/20 0.51
FOLH1 Q04609 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
MAPT P10636 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4599005 1.00 FPR2 (0.62) FPR2CA1CA2EPHX2FOLH1
SCHEMBL4738073 0.88 SMN1; SMN2 (0.53) FPR2CA1CA2FOLH1SMN1; SMN2
SCHEMBL4738077 0.88 SMN1; SMN2 (0.53) FPR2CA1CA2FOLH1SMN1; SMN2
SCHEMBL4600141 0.86 FOLH1 (0.63) FPR2CA1CA2FOLH1
SCHEMBL4600137 0.86 FOLH1 (0.63) FPR2CA1CA2FOLH1
SCHEMBL4600160 0.84 CA1 (0.56) FPR2CA1CA2FOLH1
SCHEMBL4600162 0.84 CA1 (0.56) FPR2CA1CA2FOLH1
SCHEMBL28216420 0.84 FOLH1 (0.61) FPR2CA1CA2FOLH1KMT2A
SCHEMBL4888941 0.83 CA1 (0.45) FPR2CA1CA2FOLH1SMN1; SMN2
SCHEMBL4888928 0.83 CA1 (0.45) FPR2CA1CA2FOLH1SMN1; SMN2

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 3112/4885CA1 4464/4885CA2 4735/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FPR2 3738/4885CA1 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.