SCHEMBL22068464

SCHEMBL22068464

COC(=O)C1CC2CCC(C1)N2C(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(N)=O)C(=O)Nc1ccc(CN)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.38
MAP1LC3B Q9GZQ8 2/20 0.37
FURIN P09958 6/20 0.35
SIRT1 Q96EB6 3/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
HRH1 P35367 2/20 0.34
SIRT5 Q9NXA8 1/20 0.34
PRSS1 P07477 1/20 0.34
HTT P42858 1/20 0.34
PLG P00747 1/20 0.34

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
SCHEMBL22068466 0.92 KLKB1 (0.37) KLKB1MAP1LC3BFURINHRH1HTT
SCHEMBL22068550 0.85 MAP1LC3B (0.37) KLKB1MAP1LC3BFURINNMT2NMT1
SCHEMBL29284586 0.82 NPC1 (0.41) MAP1LC3BHTT
SCHEMBL22068490 0.81 MAP1LC3B (0.37) KLKB1MAP1LC3BFURINNMT2NMT1
SCHEMBL22068547 0.80 MAP1LC3B (0.36) KLKB1MAP1LC3BFURINHRH1
SCHEMBL22068095 0.79 MAP1LC3B (0.36) KLKB1MAP1LC3BFURINNMT2NMT1
SCHEMBL22068096 0.79 NPC1 (0.41) MAP1LC3BSIRT1SIRT2HTT
SCHEMBL21781789 0.77 MAP1LC3B (0.35) KLKB1MAP1LC3BFURIN
SCHEMBL22068135 0.77 MAP1LC3B (0.35) KLKB1MAP1LC3BFURIN
SCHEMBL22593892 0.77 FURIN (0.42) FURINSIRT1SIRT2SIRT3HTT

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 408/4885MAP1LC3B 1411/4885FURIN 676/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 KLKB1 408/4885MAP1LC3B 1411/4885FURIN 676/4885

“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.