SCHEMBL19940406

SCHEMBL19940406

C=CP(=O)(NCCCc1ccccc1)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.42
FDPS P14324 2/20 0.41
SIGMAR1 Q99720 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19940176 0.83 KMT2A (0.41) FDPSSIGMAR1NPC1RAB9APOLB
SCHEMBL19940403 0.75 NPSR1 (0.42) MEN1KMT2AL3MBTL1TSHR
SCHEMBL778913 0.67 TSHR (0.42) CA2MEN1KMT2AL3MBTL1TSHR
Ammonia Solution, Strong SCHEMBL9172881 0.66 NPSR1 (0.49) FDPSSIGMAR1NPC1RAB9APOLB
SCHEMBL19939470 0.65 MEN1 (0.45) POLBMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL778165 0.64 HTT (0.36) MMP1MMP3
SCHEMBL28514116 0.63 LMNA (0.50) NPC1RAB9AL3MBTL1TSHR
SCHEMBL19711877 0.62 SIGMAR1 (0.59) SIGMAR1POLBMEN1KMT2AL3MBTL1
SCHEMBL23497166 0.62 CA1 (0.42) NPC1RAB9ACA1CA2CA9
SCHEMBL29127741 0.62 L3MBTL1 (0.46) MLYCDSIGMAR1NPC1RAB9AL3MBTL1

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 MLYCD 3157/4885FDPS 146/4885SIGMAR1 847/4885
US-20190330264-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PHOSPHO1, PFAS, PNKP MLYCD 3262/4885FDPS 136/4885SIGMAR1 918/4885
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A MLYCD 3177/4885FDPS 252/4885SIGMAR1 1465/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP MLYCD 3157/4885FDPS 146/4885SIGMAR1 847/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP MLYCD 3157/4885FDPS 146/4885SIGMAR1 847/4885

“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.