SCHEMBL21788261

SCHEMBL21788261

CC(C)NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(C)S)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 7/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.34
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ NPY4R P50391 6/20 0.32
▸ NPY1R P25929 4/20 0.32
▸ NPY2R P49146 3/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ CTSL P07711 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ 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
SCHEMBL22067692 0.91 FURIN (0.38) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL23126444 0.91 FURIN (0.38) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL21788282 0.91 FURIN (0.38) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL20834995 0.89 SIRT5 (0.34) FURINSIRT5C3AR1NPY4RNPY1R
SCHEMBL22692371 0.88 FURIN (0.32) FURINC3AR1
SCHEMBL27352679 0.86 FURIN (0.38) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL21788077 0.86 FURIN (0.38) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL25942881 0.84 FURIN (0.36) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL21788004 0.82 FURIN (0.36) FURINSIRT5NMT2NMT1C3AR1
SCHEMBL23900963 0.82 FURIN (0.36) FURINSIRT5NMT2NMT1C3AR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 — — US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 — — 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 (2 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 FURIN 2643/4885SIRT5 3829/4885NMT2 1338/4885
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA FURIN 1970/4885SIRT5 4250/4885NMT2 38/4885

“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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