SCHEMBL4599289

SCHEMBL4599289

NCCCC[C@H](NC(=O)COc1ccc(I)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.49
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
SLC15A2 Q16348 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR34 Q9UPC5 1/20 0.43
ALB P02768 2/20 0.42

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
SCHEMBL4599294 1.00 FOLH1 (0.49) FOLH1ITGB3ITGA2BALDH1A1HIF1A
SCHEMBL4599881 0.88 GPR34 (0.54) ITGB3ITGA2BALDH1A1SMN1; SMN2GPR34
SCHEMBL4599884 0.88 GPR34 (0.54) ITGB3ITGA2BALDH1A1SMN1; SMN2GPR34
SCHEMBL4600549 0.88 GPR34 (0.57) ITGB3ITGA2BALDH1A1GPR34
SCHEMBL4600543 0.88 GPR34 (0.57) ITGB3ITGA2BALDH1A1GPR34
SCHEMBL4600461 0.86 ALDH1A1 (0.54) ITGB3ITGA2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL4600451 0.86 ALDH1A1 (0.54) ITGB3ITGA2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL20637849 0.83 ITGB3 (0.54) FOLH1ITGB3ITGA2BSLC15A2ALB
SCHEMBL9752048 0.83 KMT2A (0.57) ITGB3ITGA2BALDH1A1
SCHEMBL4739869 0.80 GPR34 (0.48) FOLH1ALDH1A1SMN1; SMN2GPR34

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 FOLH1 771/4885ITGB3 1550/4885ITGA2B 2449/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FOLH1 1486/4885ITGB3 4006/4885ITGA2B 3909/4885

“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.