SCHEMBL22068484

SCHEMBL22068484

COC(=O)C1CCN(C(=O)COCCOCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CO)cc2)C(C)C)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.34
FURIN P09958 3/20 0.34
MAP1LC3B Q9GZQ8 2/20 0.34
AKT1 P31749 2/20 0.33
TP53 P04637 1/20 0.32
FAP Q12884 1/20 0.32
C3AR1 Q16581 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 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
SCHEMBL22068138 0.99 KLKB1 (0.34) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL22068135 0.95 MAP1LC3B (0.35) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL21781789 0.95 MAP1LC3B (0.35) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL21781788 0.94 FURIN (0.34) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL22068547 0.91 MAP1LC3B (0.36) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL22068550 0.86 MAP1LC3B (0.37) KLKB1FURINMAP1LC3BFAPMEN1
SCHEMBL30988360 0.85 MAP1LC3B (0.35) KLKB1FURINMAP1LC3BAKT1TP53
SCHEMBL30988370 0.82 FURIN (0.41) KLKB1FURINC3AR1
SCHEMBL30988364 0.80 FURIN (0.42) FURINC3AR1
SCHEMBL30988380 0.80 MAP1LC3B (0.35) KLKB1FURINMAP1LC3BTP53FAP

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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 KLKB1 408/4885FURIN 676/4885MAP1LC3B 1411/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 KLKB1 408/4885FURIN 676/4885MAP1LC3B 1411/4885

“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.