SCHEMBL4599884

SCHEMBL4599884

NCCCCC(NC(=O)COc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 3/20 0.54
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
CDC25B P30305 1/20 0.49
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CPB2 Q96IY4 1/20 0.45
ATF4 P18848 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
SCHEMBL4599881 1.00 GPR34 (0.54) GPR34PTPN2PTPN1CDC25BITGB3
SCHEMBL4599294 0.88 FOLH1 (0.49) GPR34ITGB3ITGA2BSMN1; SMN2ALDH1A1
SCHEMBL4599289 0.88 FOLH1 (0.49) GPR34ITGB3ITGA2BSMN1; SMN2ALDH1A1
SCHEMBL4600543 0.88 GPR34 (0.57) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4600549 0.88 GPR34 (0.57) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL10354511 0.88 GPR34 (0.54) GPR34PTPN2PTPN1CDC25BMAPT
SCHEMBL4739869 0.87 GPR34 (0.48) GPR34RECQLSMN1; SMN2ALDH1A1
SCHEMBL4739878 0.87 GPR34 (0.48) GPR34RECQLSMN1; SMN2ALDH1A1
SCHEMBL10355096 0.86 GPR34 (0.53) GPR34PTPN2PTPN1CDC25BITGB3
SCHEMBL4600451 0.86 ALDH1A1 (0.54) GPR34ITGB3ITGA2BSMN1; SMN2ALDH1A1

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 GPR34 2759/4885PTPN2 1444/4885PTPN1 1072/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH GPR34 3983/4885PTPN2 2059/4885PTPN1 1758/4885

“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.