SCHEMBL5015207

SCHEMBL5015207

[CH2]c1ccc(NC(=O)CC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
GAA P10253 1/20 0.39
ENPP2 Q13822 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL9435685 0.83 KMT2A (0.49) PTPN1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL5015209 0.79 LMNA (0.40) PTPN1LMNARAB9AGAAENPP2
SCHEMBL5013951 0.74 ENPP2 (0.46) GAAENPP2DGAT2POLBMEN1
SCHEMBL5495326 0.71 CA1 (0.59) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL1356115 0.71 KMT2A (0.50) PTPN1LMNAHPGDRAB9AGAA
SCHEMBL6934094 0.71 GAA (0.61) HPGDSMN1; SMN2RAB9AGAAPOLB
SCHEMBL7800005 0.71 NPC1 (0.63) LMNAHPGDSMN1; SMN2RAB9APOLB
SCHEMBL23521940 0.68 CYP1A1 (0.70) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL7833686 0.68 TP53 (0.72) LMNAHPGDSMN1; SMN2RAB9AMEN1
SCHEMBL1848123 0.68 ENPP2 (0.43) PTPN1LMNAHPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115720-B2 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 (US) 2006-10-03 US claimed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US claimed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP claimed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 WO claimed
US-7385042-B2 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. (US) 2008-06-10 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
US-7115720-B2 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 (US) 2006-10-03 US disclosed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US disclosed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP disclosed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 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-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 PTPN1 83/4885LMNA 2557/4885HPGD 2060/4885
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods SLC10A1, MEN1, REN PTPN1 2122/4885LMNA 1040/4885HPGD 2709/4885

“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.