Butane

Butane

SCHEMBL3022746

CCCC.CP(=O)(O)OOc1cccc2cccnc12

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 4/20 0.44
HDAC6 Q9UBN7 2/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.42
BLM P54132 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4381780 0.94 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3011815 0.93 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3011820 0.80 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL28128326 0.80 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL721177 0.77 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL13212807 0.74 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4381775 0.74 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL7261599 0.73 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4381777 0.73 LMNA (0.50) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4461219 0.73 SRC (0.57) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1

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
EP-2522394-B1 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2016-12-28 EP disclosed
US-8513219-B2 Substituted phosphonates and their use in decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) 2013-08-20 US disclosed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-08-12 US disclosed
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 EP disclosed
US-7629379-B2 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2009-12-08 US disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 WO disclosed
US-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2007-03-01 US disclosed
EP-1625134-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2006-02-15 EP disclosed
WO-2004101579-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-11-25 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-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof NR2E3, CASR, NR3C2 MAPT 4604/4885RAB9A 4338/4885NPC1 529/4885
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates PSEN2, PSEN1, APP MAPT 4/4885RAB9A 3436/4885NPC1 652/4885

“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.