SCHEMBL22068095

SCHEMBL22068095

COC(=O)C1CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CN)cc2)C(C)C)C(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.36
HRH1 P35367 5/20 0.35
KLKB1 P03952 2/20 0.34
NMT2 O60551 2/20 0.34
NMT1 P30419 2/20 0.34
FAP Q12884 2/20 0.34
FURIN P09958 3/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY4R P50391 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
SCHEMBL21781963 0.95 HRH1 (0.35) MAP1LC3BHRH1KLKB1FAPFURIN
SCHEMBL21781964 0.91 MAP1LC3B (0.36) MAP1LC3BHRH1KLKB1FAPFURIN
SCHEMBL22068094 0.89 FURIN (0.35) MAP1LC3BHRH1KLKB1FAPFURIN
SCHEMBL22068550 0.83 MAP1LC3B (0.37) MAP1LC3BHRH1KLKB1NMT2NMT1
SCHEMBL22068464 0.79 KLKB1 (0.38) MAP1LC3BHRH1KLKB1NMT2NMT1
SCHEMBL21781748 0.79 KMT2A (0.31) KLKB1FURINITGB1MEN1KMT2A
SCHEMBL22068135 0.78 MAP1LC3B (0.35) MAP1LC3BKLKB1FAPFURINMEN1
SCHEMBL22068547 0.78 MAP1LC3B (0.36) MAP1LC3BHRH1KLKB1FAPFURIN
SCHEMBL29284586 0.77 NPC1 (0.41) MAP1LC3BMEN1KMT2A
SCHEMBL22593892 0.77 FURIN (0.42) FURINNPY4R

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 MAP1LC3B 1411/4885HRH1 3940/4885KLKB1 408/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 MAP1LC3B 1411/4885HRH1 3940/4885KLKB1 408/4885

“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.