SCHEMBL19940403

SCHEMBL19940403

C=CP(=O)(Nc1ccccc1)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
RECQL P46063 1/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
PAX8 Q06710 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32

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
SCHEMBL21519652 0.80 NPSR1 (0.64) NPSR1RECQLHTTLMNAMEN1
SCHEMBL19940406 0.75 MLYCD (0.42) MEN1KMT2AL3MBTL1TSHR
SCHEMBL778913 0.73 TSHR (0.42) NPSR1HTTLMNAMEN1KMT2A
SCHEMBL19940402 0.72 KDM4E (0.59) NPSR1RECQLHTTLMNAMEN1
SCHEMBL778165 0.70 HTT (0.36) HTTSMN1; SMN2
SCHEMBL19940400 0.67 KDM4E (0.47) NPSR1HTTLMNAMEN1KMT2A
SCHEMBL777165 0.66 MEN1 (0.53) NPSR1HTTLMNAMEN1KMT2A
SCHEMBL4134585 0.66 TDP1 (0.45) NPSR1HTTLMNAMEN1KMT2A
SCHEMBL19940419 0.66 KDM4E (0.42) NPSR1RECQLHTTLMNAMEN1
SCHEMBL19939522 0.65 NPSR1 (0.44) NPSR1LMNAMEN1KMT2ASMN1; SMN2

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 8 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-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-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 628/4885RECQL 1954/4885HTT 4474/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP NPSR1 577/4885RECQL 2186/4885HTT 4309/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A NPSR1 873/4885RECQL 1629/4885HTT 2927/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP NPSR1 628/4885RECQL 1954/4885HTT 4474/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP NPSR1 628/4885RECQL 1954/4885HTT 4474/4885

“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.