SCHEMBL5555779

SCHEMBL5555779

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 2/20 0.36
MAN2B1 O00754 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL25940770 0.91 TDP1 (0.42) CA1CA2TDP1DRD2CA12
SCHEMBL1509985 0.89 SMN1; SMN2 (0.42) DRD2HPGDHTTSMN1; SMN2CYP3A4
SCHEMBL1510026 0.89 SMN1; SMN2 (0.42) DRD2HPGDHTTSMN1; SMN2CYP3A4
SCHEMBL16995749 0.87 DRD2 (0.39) CA1CA2TDP1DRD2MEN1
SCHEMBL17589281 0.85 CA12 (0.38) CA1CA2TDP1CA12CA9
SCHEMBL22402873 0.85 TDP1 (0.47) CA1CA2TDP1DRD2CA12
SCHEMBL3474501 0.85 TDP1 (0.47) CA1CA2TDP1DRD2CA12
SCHEMBL25129444 0.85 TLR2 (0.38) CA1CA2TDP1CA12CA9
SCHEMBL10071724 0.85 CA1 (0.42) CA1CA2TDP1DRD2MEN1
SCHEMBL12317123 0.85 TLR2 (0.38) CA1CA2TDP1CA12CA9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 US disclosed
US-7052673-B2 Pharmaceuticals for the imaging of angiogenic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US disclosed
US-20060003926-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS LANTHEUS MEDICAL IMAGING, INC. 2006-01-05 US disclosed
US-20050118100-A9 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent LANTHEUS MEDICAL IMAGING, INC. 2005-06-02 US disclosed
EP-1068224-B1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-05-11 EP disclosed
US-6800273-B2 ANTICANCER AGENTS; ANGIOGENOSIS INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-05 US disclosed
US-20030180305-A1 Pharmaceuticals for the imaging of angiogenic disorders LANTHEUS MEDICAL IMAGING, INC. 2003-09-25 US disclosed
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 US disclosed
US-20020106325-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent CARPENTER ALAN P (US) 2002-08-08 US disclosed
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-03 US disclosed
EP-1068224-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
WO-1999058162-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-11-18 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 (5 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-20050118100-A9 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 CA1 1947/4885CA2 1691/4885TDP1 4609/4885
US-20020106325-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 CA1 1947/4885CA2 1691/4885TDP1 4609/4885
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS VEGFA, FLT4, FLT1 CA1 3033/4885CA2 1859/4885TDP1 4448/4885
US-20060003926-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS FLT4, VEGFA, FLT1 CA1 4004/4885CA2 2952/4885TDP1 4525/4885
US-20030180305-A1 Pharmaceuticals for the imaging of angiogenic disorders VEGFA, FLT4, FLT1 CA1 3033/4885CA2 1859/4885TDP1 4448/4885

“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.