SCHEMBL4600543

SCHEMBL4600543

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 4/20 0.57
CTSB P07858 3/20 0.48
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 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
SCHEMBL4600549 1.00 GPR34 (0.57) GPR34CTSBITGB3ITGA2BCTSS
SCHEMBL4599289 0.88 FOLH1 (0.49) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4599294 0.88 FOLH1 (0.49) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4599884 0.88 GPR34 (0.54) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4599881 0.88 GPR34 (0.54) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4600451 0.86 ALDH1A1 (0.54) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL4600461 0.86 ALDH1A1 (0.54) GPR34ITGB3ITGA2BALDH1A1
SCHEMBL9752048 0.83 KMT2A (0.57) ITGB3ITGA2BALDH1A1LMNA
SCHEMBL25409269 0.82 TGM2 (0.47) ITGB3ITGA2B
SCHEMBL4739869 0.80 GPR34 (0.48) GPR34CTSBCTSSCTSLCTSK

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
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
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 (1 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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH GPR34 3983/4885CTSB 1035/4885ITGB3 4006/4885

“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.