SCHEMBL21764562

SCHEMBL21764562

CC(=O)NP(=O)(O)OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CTSA P10619 1/20 0.42
ACHE P22303 1/20 0.42
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL26876544 0.77 MMP1 (0.35) KDM4ETDP1MMP1MMP8CA12
SCHEMBL21764801 0.77 METAP1 (0.39) KDM4ETDP1MMP1CA1CA2
SCHEMBL17346874 0.73
SCHEMBL411387 0.73
SCHEMBL9517749 0.72 TSHR (0.35) KDM4ETDP1MMP1MMP8TSHR
SCHEMBL20078943 0.71 KDM4E (0.44) KDM4ETDP1CTSAACHEMMP1
SCHEMBL11882370 0.71
SCHEMBL28287196 0.70 KDM4E (0.43) KDM4ETDP1CTSAACHEMMP1
SCHEMBL21764740 0.70 MAPK1 (0.36) KDM4ETDP1MMP1MMP8
SCHEMBL21577324 0.70 KDM4E (0.47) KDM4ETDP1CTSAACHEMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KDM4E 3299/4885TDP1 204/4885CTSA 19/4885

“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.