SCHEMBL21764801

SCHEMBL21764801

CCCC(C)OP(=O)(O)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
FDPS P14324 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMPD1 P17405 3/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL21764562 0.77 KDM4E (0.55) KDM4ETDP1MMP1MMP2CA1
SCHEMBL26876544 0.76 MMP1 (0.35) KDM4ETDP1ALDH1A1CYP2D6CYP2C9
SCHEMBL2471725 0.74 METAP1 (0.48) METAP1FDPSSMPD1
SCHEMBL2473811 0.74 SMPD1 (0.50) METAP1FDPSSMPD1
SCHEMBL11386365 0.72 METAP1 (0.47) METAP1FDPSSMPD1
SCHEMBL27818853 0.72 METAP1 (0.47) METAP1FDPSSMPD1
SCHEMBL28652292 0.71 METAP1 (0.45) METAP1FDPSSMPD1
SCHEMBL28390048 0.71 METAP1 (0.45) METAP1FDPSSMPD1
SCHEMBL20834791 0.69 METAP1 (0.44) METAP1FDPSSMPD1PLA2G2A
SCHEMBL28389138 0.69 METAP1 (0.44) METAP1FDPSSMPD1

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 2 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-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 556/4885FDPS 801/4885KDM4E 3299/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 METAP1 232/4885FDPS 263/4885KDM4E 4061/4885

“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.