SCHEMBL3277730

SCHEMBL3277730

O=P(O)(O)C(N1CCNCCNCCNCC1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.58
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
OPRD1 P41143 3/20 0.32
CHKA P35790 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL9175624 1.00 FDPS (0.58) FDPSANPEPERAP2MEN1KMT2A
SCHEMBL9565325 0.98 FDPS (0.60) FDPSANPEPERAP2MEN1KMT2A
SCHEMBL9601894 0.95 FDPS (0.58) FDPSANPEPERAP2MEN1KMT2A
SCHEMBL12250790 0.84 FDPS (0.50) FDPSANPEPERAP2CA2CA12
SCHEMBL9601881 0.84 FDPS (0.45) FDPSANPEPERAP2CA2CA12
SCHEMBL3080928 0.80 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL203348 0.80 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL898693 0.80 FDPS (0.75) FDPSANPEPERAP2
SCHEMBL6668799 0.77 FDPS (0.39) FDPSANPEPERAP2
SCHEMBL2203676 0.75 FDPS (0.85) FDPSANPEPERAP2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696331-B2 High dose radionuclide complexes for bone marrow treatment PONIARD PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-7691985-B2 Skeletal-targeted radiation to treat bone-associated pathologies PONIARD PHARMACEUTICALS, INC. (US) 2010-04-06 US disclosed
US-7605239-B2 Skeletal-targeted radiation to treat bone-associated pathologies PONIARD PHARMACEUTICALS, INC. (US) 2009-10-20 US disclosed
US-20090136419-A1 HIGH DOSE RADIONUCLIDE COMPLEXES FOR BONE MARROW TREATMENT PONIARD PHARMACEUTICALS, INC. 2009-05-28 US disclosed
US-20080279773-A1 SKELETAL-TARGETED RADIATION TO TREAT BONE-ASSOCIATED PATHOLOGIES PONIARD PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-7408046-B2 Treatment of bone-associated cancers PONIARD PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7385042-B2 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-7378077-B2 High dose radionuclide complexes for bone marrow suppression PONIARD PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-20070053833-A1 High dose radionuclide complexes for bone marrow suppression NEORX CORPORATION 2007-03-08 US disclosed
US-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION 2006-11-09 US disclosed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP disclosed
US-20020176818-A1 High dose radionuclide complexes for bone marrow suppression PONIARD PHARMACEUTICALS, INC. 2002-11-28 US disclosed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 WO disclosed
EP-1191948-A2 HIGH DOSE RADIONUCLIDE COMPLEXES FOR BONE MARROW SUPPRESSION NEORX CORPORATION (US) 2002-04-03 EP disclosed
WO-2000076556-A9 HIGH DOSE RADIONUCLIDE COMPLEXES FOR BONE MARROW SUPPRESSION NEORX CORP (US) 2001-11-08 WO disclosed
WO-2000076556-A2 HIGH DOSE RADIONUCLIDE COMPLEXES FOR BONE MARROW SUPPRESSION NEORX CORPORATION (US) 2000-12-21 WO disclosed
US-5428155-A PH controlled sulfomethylation of 1,4,7,10-tetraazacyclododecane; displacement with sodium cyanide; hydrolysis to symmetrical acetic acid side groups BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-06-27 US disclosed
EP-0618910-A1 SYNTHESIS OF POLYAZAMACROCYCLES WITH MORE THAN ONE TYPE OF SIDE-CHAIN CHELATING GROUPS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-10-12 EP disclosed
US-5316757-A MRI contrast agent BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-05-31 US disclosed
WO-1993012097-A1 SYNTHESIS OF POLYAZAMACROCYCLES WITH MORE THAN ONE TYPE OF SIDE-CHAIN CHELATING GROUPS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-06-24 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-20080279773-A1 SKELETAL-TARGETED RADIATION TO TREAT BONE-ASSOCIATED PATHOLOGIES ENPP2, BPGM, BMP6 FDPS 1478/4885ANPEP 83/4885ERAP2 204/4885
US-20020176818-A1 High dose radionuclide complexes for bone marrow suppression CSF3R, ACP1, BPGM FDPS 1763/4885ANPEP 78/4885ERAP2 361/4885
US-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) PHOSPHO1, SNRPA1, NPM1 FDPS 2837/4885ANPEP 301/4885ERAP2 2510/4885
US-20070053833-A1 High dose radionuclide complexes for bone marrow suppression CSF3R, ACP1, BPGM FDPS 1763/4885ANPEP 78/4885ERAP2 361/4885
US-20090136419-A1 HIGH DOSE RADIONUCLIDE COMPLEXES FOR BONE MARROW TREATMENT CSF3R, ACP1, MPL FDPS 1884/4885ANPEP 60/4885ERAP2 351/4885

“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.