SCHEMBL19940409

SCHEMBL19940409

CCOP(=O)(/C=C\SCC)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
ACHE P22303 1/20 0.41
KCNH2 Q12809 1/20 0.40
NR1I2 O75469 1/20 0.37
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
AOX1 Q06278 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
NPY5R Q15761 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26220204 0.82 NPSR1 (0.62) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL26220201 0.82 NPSR1 (0.62) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL21519652 0.77 NPSR1 (0.64) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL1893010 0.72 NPSR1 (1.00) NPSR1ACHEKCNH2NR1I2KDM4E
Ammonia Solution, Strong SCHEMBL9173134 0.71 NPSR1 (0.96) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL9328075 0.68 NPSR1 (0.76) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL9407022 0.67 NPSR1 (0.73) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL9328039 0.67 NPSR1 (0.68) NPSR1ACHEKCNH2NR1I2KDM4E
SCHEMBL10885930 0.67 NPSR1 (0.86) NPSR1ACHEKCNH2KDM4ELMNA
SCHEMBL16868425 0.67 NPSR1 (0.68) NPSR1ACHEKCNH2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 US disclosed
US-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2022-04-07 US disclosed
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2021-11-02 US disclosed
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2019-10-31 US disclosed
WO-2018041985-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2018-03-08 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 (5 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-20220106356-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP NPSR1 628/4885ACHE 2503/4885KCNH2 2916/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP NPSR1 577/4885ACHE 2383/4885KCNH2 3104/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A NPSR1 873/4885ACHE 2986/4885KCNH2 4106/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP NPSR1 628/4885ACHE 2503/4885KCNH2 2916/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP NPSR1 628/4885ACHE 2503/4885KCNH2 2916/4885

“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.