SCHEMBL21764800

SCHEMBL21764800

CCCC(C)OP(N)(=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
S1PR2 O95136 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 4/20 0.35
SMPD1 P17405 3/20 0.33
ALDH1A1 P00352 1/20 0.33
FDPS P14324 1/20 0.32
FAAH O00519 2/20 0.32
LAP3 P28838 1/20 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
SCHEMBL27021681 0.77 METAP1 (0.39) METAP1S1PR2S1PR1S1PR3S1PR4
SCHEMBL21764561 0.77 TSHR (0.39) ALDH1A1
SCHEMBL24329091 0.76 LAP3 (0.31) ALDH1A1LAP3
SCHEMBL21764812 0.72 CYP3A4 (0.47) ALDH1A1
SCHEMBL21764724 0.71 CYP3A4 (0.45) METAP1S1PR2S1PR1S1PR3S1PR4
SCHEMBL2185473 0.71 SMPD1 (0.49) S1PR2S1PR1S1PR3S1PR4SMPD1
SCHEMBL3976301 0.71 SMPD1 (0.49) S1PR2S1PR1S1PR3S1PR4SMPD1
SCHEMBL2473811 0.70 SMPD1 (0.50) METAP1S1PR2S1PR1S1PR3S1PR4
SCHEMBL2471725 0.70 METAP1 (0.48) METAP1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28389138 0.69 METAP1 (0.44) METAP1S1PR2S1PR1S1PR3S1PR4

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
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
WO-2022081594-A1 ANTIMICROBIAL COMBINATION THERAPEUTICS AEQUOR, INC. (US) 2022-04-21 WO disclosed
EP-3474860-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE AEQUOR INC (US) 2021-12-15 EP disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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 (2 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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN METAP1 556/4885S1PR2 2160/4885S1PR1 1868/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 METAP1 232/4885S1PR2 2000/4885S1PR1 1937/4885

“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.