SCHEMBL26027085

SCHEMBL26027085

COC(=O)c1ccc(NC(=O)[C@H](CCCCNN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.43
▸ FURIN P09958 7/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PRSS1 P07477 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL26027087 0.93 FURIN (0.40) KLKB1FURINHTTROCK2CTSL
SCHEMBL26026944 0.92 SIRT5 (0.38) KLKB1FURINROCK2CTSL
SCHEMBL25360099 0.87 FURIN (0.36) KLKB1FURINMMP1MMP3MMP7
SCHEMBL25360091 0.87 FURIN (0.36) KLKB1FURINMMP1MMP3MMP7
SCHEMBL26026941 0.86 FURIN (0.35) FURINROCK2CTSL
SCHEMBL25438103 0.83 CTSL (0.41) KLKB1FURINROCK2CTSL
SCHEMBL24390287 0.83 FURIN (0.38) KLKB1FURINROCK2CTSL
SCHEMBL24401393 0.82 FURIN (0.36) KLKB1FURINROCK2CTSL
SCHEMBL25359008 0.82 CTSL (0.38) KLKB1FURINMMP3ROCK2CTSL
SCHEMBL25363100 0.81 FURIN (0.38) FURINHTTROCK2SMN1; SMN2

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 KLKB1 2157/4885FURIN 2087/4885MMP1 1272/4885

“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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