SCHEMBL25361835

SCHEMBL25361835

Cc1ccc(C(NCCCC[C@H](NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)C(=O)Nc2cc[c]cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 8/20 0.34
▸ SIRT2 Q8IXJ6 8/20 0.32
▸ SIRT1 Q96EB6 8/20 0.32
▸ ALB P02768 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ MEF2D Q14814 1/20 0.32
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL25361536 0.93 SIRT5 (0.38) FURINSIRT2SIRT1ALBSIRT3
SCHEMBL25361554 0.93 SIRT5 (0.38) FURINSIRT2SIRT1ALBSIRT3
SCHEMBL25361987 0.92 FURIN (0.37) FURINSIRT2SIRT1ALB
SCHEMBL25350530 0.92 FURIN (0.35) FURINSIRT2SIRT1ALBSIRT3
SCHEMBL25361975 0.92 FURIN (0.37) FURINSIRT2SIRT1ALB
SCHEMBL25383060 0.91 FURIN (0.37) FURINSIRT2SIRT1ALBSIRT3
SCHEMBL29048536 0.91 FURIN (0.37) FURINSIRT2SIRT1ALBSIRT3
SCHEMBL25360091 0.91 FURIN (0.36) FURINSIRT2SIRT1ALB
SCHEMBL25360099 0.91 FURIN (0.36) FURINSIRT2SIRT1ALB
SCHEMBL25361974 0.89 FURIN (0.34) FURINSIRT2SIRT1ALBHDAC4

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 2087/4885SIRT2 2798/4885SIRT1 2353/4885

“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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