SCHEMBL4152139

SCHEMBL4152139

O=P(O)(O)c1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 6/20 0.39
PGK2 P07205 6/20 0.39
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
DAO P14920 1/20 0.33
PDE2A O00408 2/20 0.31
INPPL1 O15357 1/20 0.31
ACP3 P15309 1/20 0.31
PTPN1 P18031 3/20 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
SCHEMBL578308 0.77 CES2 (0.44) PGK1PGK2CA2CA4CA5A
SCHEMBL4148579 0.75 CA2 (0.39) PGK1PGK2CA2CA4CA5A
SCHEMBL28875411 0.73 PGK1 (0.50) PGK1PGK2CA2CA4CA5A
SCHEMBL25825774 0.73 HDAC1 (0.47) PGK1PGK2CA2CA4CA5A
Water SCHEMBL28675682 0.70 PGK1 (0.47) PGK1PGK2CA2CA4CA5A
SCHEMBL20379784 0.69 CA2 (0.53) PGK1PGK2CA2CA4CA5A
SCHEMBL10072928 0.69 CES2 (0.42) PGK1PGK2CA2CA4CA5A
SCHEMBL20379768 0.69 CA2 (0.42) PGK1PGK2CA2CA4CA5A
SCHEMBL15565972 0.68 CES2 (0.43) PGK1PGK2CA2CA4CA5A
SCHEMBL28460682 0.68 CES2 (0.41) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US 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-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 PGK1 546/4885PGK2 418/4885CA2 1840/4885

“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.