SCHEMBL7063121

SCHEMBL7063121

CC(=O)CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 5/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 1/20 0.38
MAPT P10636 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL27728842 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL3115111 0.83 USP2 (0.47) HSP90AA1ALDH1A1USP2POLBKMT2A
Bromide SCHEMBL5222954 0.82 USP2 (0.45) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL7281507 0.82 USP2 (0.45) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL17064719 0.81 ALDH1A1 (0.46) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL5222945 0.80 HSP90AA1 (0.42) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL5593415 0.79 POLB (0.54) HSP90AA1ALDH1A1POLBKMT2AMEN1
Lithium Ion SCHEMBL7281502 0.78 HSP90AA1 (0.41) HSP90AA1ALDH1A1USP2KMT2AMEN1
SCHEMBL27646839 0.78 HSP90AA1 (0.41) HSP90AA1ALDH1A1USP2POLBKMT2A
SCHEMBL10538450 0.78 MAPT (0.48) HSP90AA1ALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20030236229-A1 Novel 3,5,and/or 6 substituted analogues of swainsonine processes for their preparation and their use as therapeutic agents GLYCODESIGN INC. (CA) 2003-12-25 US disclosed
US-20020099065-A1 Novel 3, 5, and/or 6 substituted analogues of swainsonine, processes for their preparation and their use as therapeutic agents GLYCODESIGN INC. (CA) 2002-07-25 US disclosed
US-6048870-A MANNOSIDASE INHIBITOR; IMMUNOSTIMULANT GLYCODESIGN (CA) 2000-04-11 US disclosed
EP-0934318-A1 NOVEL 3, 5, AND/OR 6 SUBSTITUTED ANALOGUES OF SWAINSONINE, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS Glycodesign Inc. (CA) 1999-08-11 EP disclosed
WO-1998014446-A1 NOVEL 3, 5, AND/OR 6 SUBSTITUTED ANALOGUES OF SWAINSONINE, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS GLYCODESIGN INC. (CA) 1998-04-09 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 (4 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-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 HSP90AA1 3635/4885ALDH1A1 2379/4885USP2 3102/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 HSP90AA1 4402/4885ALDH1A1 2569/4885USP2 2627/4885
US-20030236229-A1 Novel 3,5,and/or 6 substituted analogues of swainsonine processes for their preparation and their use as therapeutic agents WDR77, WDR3, WDR5 HSP90AA1 1731/4885ALDH1A1 4618/4885USP2 2595/4885
US-20020099065-A1 Novel 3, 5, and/or 6 substituted analogues of swainsonine, processes for their preparation and their use as therapeutic agents WDR5, WDR3, WDR77 HSP90AA1 2526/4885ALDH1A1 4125/4885USP2 2857/4885

“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.