SCHEMBL21781879

SCHEMBL21781879

CNCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N2CCC(C)(C(=O)OC)CC2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.37
FURIN P09958 5/20 0.35
HTT P42858 1/20 0.33
HRH1 P35367 2/20 0.32
EHMT2 Q96KQ7 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAP Q12884 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
KLKB1 P03952 1/20 0.31
KMT2A Q03164 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
SCHEMBL21781876 0.93 MAP1LC3B (0.37) MAP1LC3BFURINHTTHRH1EHMT2
SCHEMBL21781878 0.92 MAP1LC3B (0.37) MAP1LC3BFURINHTTHRH1EHMT2
SCHEMBL22068098 0.84 NPC1 (0.40) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL22068145 0.83 C3AR1 (0.36) FURINKMT2A
SCHEMBL24414345 0.78 FURIN (0.41) FURINHTTSMN1; SMN2KMT2A
SCHEMBL29284586 0.77 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL29284569 0.77 NPC1 (0.41) MAP1LC3BHTTSMN1; SMN2KMT2A
SCHEMBL19840456 0.77 FAP (0.44) MAP1LC3BFURINHTTFAPITGB1
SCHEMBL16276598 0.77 FAP (0.44) MAP1LC3BFURINHTTFAPITGB1
SCHEMBL24393476 0.76 FURIN (0.40) FURINHTTSMN1; SMN2KMT2A

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 676/4885HTT 3918/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 MAP1LC3B 1411/4885FURIN 676/4885HTT 3918/4885

“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.