SCHEMBL25360099

SCHEMBL25360099

COC(=O)c1ccc(NC(=O)C(CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)NC(=O)C(NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ ALB P02768 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ PLG P00747 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIRT2 Q8IXJ6 3/20 0.32
▸ SIRT1 Q96EB6 2/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ ROCK2 O75116 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
SCHEMBL25360091 1.00 FURIN (0.36) FURINKLKB1ALBMAPTKDM4E
SCHEMBL25361975 0.95 FURIN (0.37) FURINALBPLGSIRT2SIRT1
SCHEMBL25361987 0.95 FURIN (0.37) FURINALBPLGSIRT2SIRT1
SCHEMBL25361554 0.93 SIRT5 (0.38) FURINALBSIRT2SIRT1
SCHEMBL25361536 0.93 SIRT5 (0.38) FURINALBSIRT2SIRT1
SCHEMBL25350530 0.92 FURIN (0.35) FURINALBSIRT2SIRT1
SCHEMBL29048536 0.92 FURIN (0.37) FURINALBSIRT2SIRT1
SCHEMBL25383060 0.92 FURIN (0.37) FURINALBSIRT2SIRT1
SCHEMBL25361835 0.91 FURIN (0.34) FURINALBSIRT2SIRT1
SCHEMBL25361974 0.88 FURIN (0.34) FURINALBSIRT2SIRT1

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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP FURIN 2087/4885KLKB1 2157/4885ALB 2187/4885

“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.

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