SCHEMBL25359008

SCHEMBL25359008

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCCN)C(=O)Nc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.38
▸ KLKB1 P03952 2/20 0.37
▸ PDF Q9HBH1 1/20 0.37
▸ CALCRL Q16602 1/20 0.36
▸ FURIN P09958 10/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ PLG P00747 1/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ MMP3 P08254 1/20 0.33

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
SCHEMBL25364326 0.91 FURIN (0.36) CTSLFURINROCK2
SCHEMBL25438103 0.90 CTSL (0.41) CTSLKLKB1PDFCALCRLFURIN
SCHEMBL25361835 0.84 FURIN (0.34) FURIN
SCHEMBL26026944 0.84 SIRT5 (0.38) CTSLKLKB1FURINROCK2
SCHEMBL26027087 0.83 FURIN (0.40) CTSLKLKB1FURINROCK2PLG
SCHEMBL25709382 0.82 FURIN (0.40) CTSLFURINROCK2
SCHEMBL26027085 0.82 KLKB1 (0.43) CTSLKLKB1FURINROCK2MMP3
SCHEMBL25363108 0.82 FURIN (0.38) FURINROCK2
SCHEMBL24390287 0.82 FURIN (0.38) CTSLKLKB1FURINROCK2
SCHEMBL25363100 0.82 FURIN (0.38) FURINROCK2

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 CTSL 1742/4885KLKB1 2157/4885PDF 633/4885

“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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