SCHEMBL21781963

SCHEMBL21781963

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.35
MAP1LC3B Q9GZQ8 2/20 0.35
KLKB1 P03952 2/20 0.34
FAP Q12884 2/20 0.34
FURIN P09958 2/20 0.33
NPY4R P50391 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 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
SCHEMBL22068095 0.95 MAP1LC3B (0.36) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL21781964 0.91 MAP1LC3B (0.36) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL22068094 0.89 FURIN (0.35) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL22068547 0.83 MAP1LC3B (0.36) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL22068466 0.81 KLKB1 (0.37) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL29284554 0.80 MAP1LC3B (0.40) HRH1MAP1LC3BKLKB1FAPFURIN
SCHEMBL22068484 0.78 KLKB1 (0.34) MAP1LC3BKLKB1FAPFURINITGB1
SCHEMBL21607790 0.78 FURIN (0.42) KLKB1FURINNPY4R
SCHEMBL26223125 0.78 FURIN (0.42) KLKB1FURINNPY4R
SCHEMBL22068550 0.78 MAP1LC3B (0.37) HRH1MAP1LC3BKLKB1FAPFURIN

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 3 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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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 HRH1 3940/4885MAP1LC3B 1411/4885KLKB1 408/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 HRH1 3940/4885MAP1LC3B 1411/4885KLKB1 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.