SCHEMBL26026944

SCHEMBL26026944

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCCNN)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.38
▸ FURIN P09958 9/20 0.37
▸ ROCK2 O75116 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ FOLH1 Q04609 3/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ SIRT1 Q96EB6 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 0.92 FURIN (0.40) FURINROCK2CTSLFOLH1KLKB1
SCHEMBL26027085 0.92 KLKB1 (0.43) FURINROCK2CTSLKLKB1
SCHEMBL25363108 0.90 FURIN (0.38) SIRT5FURINROCK2CHRNA1CHRNG
SCHEMBL26026790 0.90 FURIN (0.38) SIRT5FURINROCK2CHRNA1CHRNG
SCHEMBL25363100 0.90 FURIN (0.38) SIRT5FURINROCK2CHRNA1CHRNG
SCHEMBL26026941 0.88 FURIN (0.35) FURINROCK2CTSL
SCHEMBL25361536 0.86 SIRT5 (0.38) SIRT5FURINFOLH1SIRT1
SCHEMBL25361554 0.86 SIRT5 (0.38) SIRT5FURINFOLH1SIRT1
SCHEMBL25438103 0.85 CTSL (0.41) FURINROCK2CTSLKLKB1
SCHEMBL24390287 0.85 FURIN (0.38) SIRT5FURINROCK2CTSLKLKB1

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 SIRT5 2004/4885FURIN 2087/4885ROCK2 2442/4885

“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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