Methyl Phosphonate

Methyl Phosphonate

SCHEMBL4387220

CCCCNc1c2ccccc2cc2ccccc12.CP(=O)(O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC2A1 P11166 2/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ELANE P08246 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL27511461 0.89 SLC2A1 (0.48) TOP2ACYP1A2CYP3A4CYP2C9CYP2C19
Methyl Phosphonate SCHEMBL4397039 0.86 KCNH3 (0.41) TOP2APOLBRAD52HTT
SCHEMBL27511792 0.83 SLC2A1 (0.53) SLC2A1POLBRAD52ELANERAB9A
SCHEMBL28744827 0.83 SLC2A1 (0.53) SLC2A1POLBRAD52ELANERAB9A
SCHEMBL27804260 0.82 TOP2A (0.43) TOP2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8851369 0.79 IDO1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19SLC2A1
Methyl Phosphonate SCHEMBL4381295 0.78 KMT2A (0.53) HDAC1POLBRAD52
SCHEMBL10362358 0.77 POLB (0.49) SLC2A1POLBRAD52RAB9ATSHR
SCHEMBL27911498 0.76 POLB (0.45) SLC2A1POLBRAD52RAB9ATSHR
SCHEMBL10691567 0.74 G6PD (0.48) CYP1A2CYP2C9CYP2C19POLBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101730565-B Substituted phosphonates and their use for reducing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE 2015-06-10 CN disclosed
US-7629379-B2 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2009-12-08 US 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 (1 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 TOP2A 2467/4885HDAC3 989/4885HDAC1 2326/4885

“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.