SCHEMBL21781876

SCHEMBL21781876

COC(=O)C1(C)CCN(C(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CO)cc2)C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.37
FURIN P09958 5/20 0.36
KLKB1 P03952 1/20 0.33
HTT P42858 1/20 0.33
HRH1 P35367 2/20 0.33
EHMT2 Q96KQ7 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAP Q12884 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 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
SCHEMBL21781878 0.94 MAP1LC3B (0.37) MAP1LC3BFURINKLKB1HTTHRH1
SCHEMBL21781879 0.93 MAP1LC3B (0.37) MAP1LC3BFURINKLKB1HTTHRH1
SCHEMBL22068145 0.84 C3AR1 (0.36) FURINKMT2A
SCHEMBL29284569 0.84 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL22068492 0.83 MAP1LC3B (0.36) MAP1LC3BFURINKLKB1HRH1FAP
SCHEMBL17312902 0.82 FURIN (0.41) MAP1LC3BFURINHTTSMN1; SMN2KMT2A
SCHEMBL22068096 0.82 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL26223125 0.81 FURIN (0.42) FURINKLKB1HTTSMN1; SMN2NPY1R
SCHEMBL21607790 0.81 FURIN (0.42) FURINKLKB1HTTSMN1; SMN2NPY1R
SCHEMBL24270749 0.81 FURIN (0.43) FURINHTT

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