SCHEMBL6313516

SCHEMBL6313516

CCOP(=O)(OCC)C(CNc1ccc(C)nc1C)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL6306448 0.91 CA12 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL6314512 0.88 POLB (0.44) MAPTPOLBALDH1A1KDM4EMEN1
SCHEMBL6308431 0.88 CA12 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL6313748 0.82 SMN1; SMN2 (0.33) L3MBTL1MAPTPOLBMEN1KMT2A
SCHEMBL6306683 0.80 CA12 (0.37) CA12CA1CA2CA9L3MBTL1
SCHEMBL6306546 0.77 TAS1R3 (0.34) L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6307307 0.77 L3MBTL1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL6257771 0.77 MAPT (0.31) L3MBTL1MAPTMEN1KMT2A
SCHEMBL6254542 0.75
SCHEMBL1833136 0.73 L3MBTL1 (0.48) CA12CA1CA2CA9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP claimed
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US claimed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 WO claimed
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate ILEX PRODUCTS, INC. 2005-08-25 US disclosed
US-6706698-B2 ANTICHOLESTEROL AGENTS ILEX PRODUCTS, INC. 2004-03-16 US disclosed
EP-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP disclosed
US-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives PHAN HIEU TRUNG (CH) 2003-06-19 US disclosed
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US disclosed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 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 (3 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-20030114421-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 CA12 4666/4885CA1 4697/4885CA2 4855/4885
US-20020111332-A1 Alpha-substituted beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 CA12 4666/4885CA1 4697/4885CA2 4855/4885
US-20050187193-A1 Reducing plasma levels of apo B and LDL cholesterol and in decreasing plasma total cholesterol; restenosis following angioplasty; atherosclerosis, hypercholesterolemia; use with other drugs such as statins; e.g. diethyl alpha-(3,5-dimethoxy-4-hydroxyphenyl)-beta-(N-(3-pyridyl)-amino)-vinylphosphonate APOB, LDLR, HDLBP CA12 4875/4885CA1 4858/4885CA2 4855/4885

“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.